Chemical ID: 4121964

CC(C)(C)c1ccc(cc1)CNCc2ccccc2
Chemical ID:
4121964
Name [?]:
N-benzyl-1-(4-tert-butylphenyl)-methanamine
SMILES [?]:
CC(C)(C)c1ccc(cc1)CNCc2ccccc2
InChi [?]:
InChI=1/C18H23N/c1-18(2,3)17-11-9-16(10-12-17)14-19-13-15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,16,18,15,19,7,9,6,10,13,11,14,8,5,2,12/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:19nCCCCCCCCCCCNCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.6081
Area:483.773
Solvation:-1.48619
Coulombic:-12.8998
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.382
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.06
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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