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Chemical ID: 6480784

Chemical ID:

6480784

Name [?]:

N-(4-methoxyphenyl)-3,3-dimethyl-1,2-dihydropyrrolizin-1-amine

SMILES [?]:

CC1(CC(c2n1ccc2)Nc3ccc(cc3)OC)C

InChi [?]:

InChI=1/C16H20N2O/c1-16(2)11-14(15-5-4-10-18(15)16)17-12-6-8-13(19-3)9-7-12/h4-10,14,17H,11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,18,8,9,12,16,13,15,7,3,11,14,4,5,2,10,6,17/E:(1,2)(6,7)(8,9)/rA:19cCCCCCNCCCNCCCCCCOCC/rB:s1;s2;s3;s4;s2s5;s6;d7;d5s8;s4;s10;s11;d12;s13;d14;d11s15;s14;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₂O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	8.396
Area:	447.275
Solvation:	-2.78588
Coulombic:	-25.0417

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	256.343
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.53
LogP (Chemaxon):	2.6

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