Chemical ID: 7102621

CCOc1ccc(cc1OCC)CNCc2ccccc2Cl
Chemical ID:
7102621
Name [?]:
N-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-methanamine
SMILES [?]:
CCOc1ccc(cc1OCC)CNCc2ccccc2Cl
InChi [?]:
InChI=1/C18H22ClNO2/c1-3-21-17-10-9-14(11-18(17)22-4-2)12-20-13-15-7-5-6-8-16(15)19/h5-11,20H,3-4,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,18,19,17,20,6,5,8,13,15,7,16,21,4,9,22,14,3,10/rA:22nCCOCCCCCCOCCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClNO2
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.07871
Area:551.019
Solvation:-4.69677
Coulombic:-25.5451
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.826
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.27
LogP (Chemaxon):4.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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