Chemical ID: 4255222

Cc1ccc(cc1)CNC(C)c2ccccc2
Chemical ID:
4255222
Name [?]:
1-phenyl-N-(p-tolylmethyl)ethanamine
SMILES [?]:
Cc1ccc(cc1)CNC(C)c2ccccc2
InChi [?]:
InChI=1/C16H19N/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16/h3-11,14,17H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,15,14,16,13,17,3,7,4,6,8,2,10,5,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:9.71508
Area:441.2
Solvation:-1.31491
Coulombic:-12.3971
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.329
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.21
LogP (Chemaxon):4.23

Name Annotations

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Descriptor Annotations

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