1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine

C17H27N — CID 144835686

IUPAC1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(CCC(C)CCCC)cc1C
InChIInChI=1S/C17H27N/c1-5-6-7-13(2)8-9-16-10-11-17(15(4)18)14(3)12-16/h10-13H,4-9,18H2,1-3H3
InChIKeyAJRPNZQTKBZUDU-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.68
Rot. Bonds7

About 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine

1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine (PubChem CID 144835686) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine
PubChem CID144835686
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(CCC(C)CCCC)cc1C
InChIInChI=1S/C17H27N/c1-5-6-7-13(2)8-9-16-10-11-17(15(4)18)14(3)12-16/h10-13H,4-9,18H2,1-3H3
InChIKeyAJRPNZQTKBZUDU-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine
CID 143718335
1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene
CID 91498311
4-[(3S)-3-methylheptyl]benzaldehyde
CID 89205133
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
4-(hexan-2-ylamino)-2-methylbenzenecarbothioamide
CID 81276365
4-hexadecyl-2-methylbenzoic acid
CID 57019926
4-[8-[1-(3,4-dimethylphenyl)ethenyl]-2-methylundecyl]-1,2-dimethylbenzene
CID 142193611
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
1,2-dimethyl-4-(4-methylidenedodecyl)benzene
CID 123685669
4-[(5S)-5-methylnonyl]benzoic acid
CID 18641316

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine?
The IUPAC name of 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine (CID 144835686) is 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine.
What is the SMILES notation for 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine?
The canonical SMILES for 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine is C=C(N)c1ccc(CCC(C)CCCC)cc1C.
What is the InChIKey of 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine?
The InChIKey is AJRPNZQTKBZUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-6-7-13(2)8-9-16-10-11-17(15(4)18)14(3)12-16/h10-13H,4-9,18H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine?
1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine has a molecular weight of 245.41 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(3-methylheptyl)phenyl]ethenamine is sourced from PubChem (CID 144835686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).