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Chemical ID: 5832877

Chemical ID:

5832877

Name [?]:

N-benzyl-N',N'-dimethyl-N-(2-phenylpropyl)ethane-1,2-diamine

SMILES [?]:

CC(CN(CCN(C)C)Cc1ccccc1)c2ccccc2

InChi [?]:

InChI=1/C20H28N2/c1-18(20-12-8-5-9-13-20)16-22(15-14-21(2)3)17-19-10-6-4-7-11-19/h4-13,18H,14-17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,9,14,20,13,15,19,21,12,16,18,22,6,5,3,10,2,11,17,7,4/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:22cCCCNCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s7;s4;s10;s11;d12;s13;d14;d11s15;s2;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₈N₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	11.6085
Area:	537.754
Solvation:	-1.83538
Coulombic:	-14.2081

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	296.45
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.79
LogP (Chemaxon):	4.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value