Chemical ID: 7110913

CC(C)CNCc1ccc(cc1)C(C)C
Chemical ID:
7110913
Name [?]:
N-[(4-isopropylphenyl)methyl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)CNCc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C14H23N/c1-11(2)9-15-10-13-5-7-14(8-6-13)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,8,12,9,11,4,6,2,13,7,10,5/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCNCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H23N
All Atoms:38
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.75014
Area:429.622
Solvation:-0.990417
Coulombic:-11.7828
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:205.339
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.02
LogP (Chemaxon):3.98

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Descriptor Annotations

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