(2-heptan-4-yl-4,5-dimethylphenyl)methanamine

C16H27N — CID 139964596

IUPAC(2-heptan-4-yl-4,5-dimethylphenyl)methanamine
SMILESCCCC(CCC)c1cc(C)c(C)cc1CN
InChIInChI=1S/C16H27N/c1-5-7-14(8-6-2)16-10-13(4)12(3)9-15(16)11-17/h9-10,14H,5-8,11,17H2,1-4H3
InChIKeyOLLMXDKNQZZRBN-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.45
Rot. Bonds6

About (2-heptan-4-yl-4,5-dimethylphenyl)methanamine

(2-heptan-4-yl-4,5-dimethylphenyl)methanamine (PubChem CID 139964596) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (2-heptan-4-yl-4,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-heptan-4-yl-4,5-dimethylphenyl)methanamine
PubChem CID139964596
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(2-heptan-4-yl-4,5-dimethylphenyl)methanamine
SMILESCCCC(CCC)c1cc(C)c(C)cc1CN
InChIInChI=1S/C16H27N/c1-5-7-14(8-6-2)16-10-13(4)12(3)9-15(16)11-17/h9-10,14H,5-8,11,17H2,1-4H3
InChIKeyOLLMXDKNQZZRBN-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-heptan-4-yl-4,5-dimethylphenyl)methanamine 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

3-[2-(aminomethyl)-4-methylphenyl]hexanoic acid
CID 142774633
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
(2-methyl-4-propylphenyl)methanamine
CID 86664509
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
CID 83940931
(2-bromo-4,5-dimethylphenyl)methanamine
CID 82627715
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223

Frequently Asked Questions

What is the IUPAC name of (2-heptan-4-yl-4,5-dimethylphenyl)methanamine?
The IUPAC name of (2-heptan-4-yl-4,5-dimethylphenyl)methanamine (CID 139964596) is (2-heptan-4-yl-4,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-heptan-4-yl-4,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-heptan-4-yl-4,5-dimethylphenyl)methanamine is CCCC(CCC)c1cc(C)c(C)cc1CN.
What is the InChIKey of (2-heptan-4-yl-4,5-dimethylphenyl)methanamine?
The InChIKey is OLLMXDKNQZZRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-14(8-6-2)16-10-13(4)12(3)9-15(16)11-17/h9-10,14H,5-8,11,17H2,1-4H3.
What are the key properties of (2-heptan-4-yl-4,5-dimethylphenyl)methanamine?
(2-heptan-4-yl-4,5-dimethylphenyl)methanamine has a molecular weight of 233.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptan-4-yl-4,5-dimethylphenyl)methanamine is sourced from PubChem (CID 139964596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).