Chemical ID: 4181872

Cc1ccc(c(c1)NCc2c[nH]c3c2cccc3)C
Chemical ID:
4181872
Name [?]:
N-(1H-indol-3-ylmethyl)-2,5-dimethyl-aniline
SMILES [?]:
Cc1ccc(c(c1)NCc2c[nH]c3c2cccc3)C
InChi [?]:
InChI=1/C17H18N2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-10,18-19H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,16,17,15,18,3,4,7,11,9,2,5,10,14,13,6,12,8/rA:19nCCCCCCCNCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s12;s10s13;d14;s15;d16;d13s17;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.80596
Area:456.044
Solvation:-1.59514
Coulombic:-24.6023
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.338
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.11
LogP (Chemaxon):4.73

Name Annotations

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Descriptor Annotations

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