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Chemical ID: 4506424

Chemical ID:

4506424

Name [?]:

1-(3,4-dimethoxyphenyl)-N-phenethyl-propan-2-amine

SMILES [?]:

CC(Cc1ccc(c(c1)OC)OC)NCCc2ccccc2

InChi [?]:

InChI=1/C19H25NO2/c1-15(20-12-11-16-7-5-4-6-8-16)13-17-9-10-18(21-2)19(14-17)22-3/h4-10,14-15,20H,11-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,13,11,20,19,21,18,22,5,6,16,15,3,9,2,17,4,7,8,14,12,10/E:(5,6)(7,8)/rA:22cCCCCCCCCCOCOCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s2;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.69652
Area:	534.931
Solvation:	-4.67676
Coulombic:	-25.464

Bond Count [?]

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

Chemical Properties

Molecular Weight:	299.407
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.58
LogP (Chemaxon):	3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value