Chemical ID: 5829771

CCCCN(C)Cc1ccc(cc1)Cl
Chemical ID:
5829771
Name [?]:
N-[(4-chlorophenyl)methyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)Cc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H18ClN/c1-3-4-9-14(2)10-11-5-7-12(13)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,9,13,10,12,4,7,8,11,14,5/E:(5,6)(7,8)/rA:14cCCCCNCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18ClN
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:9.34817
Area:417.224
Solvation:-1.08244
Coulombic:-7.82364
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.731
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.75
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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