1-(3,4-dimethylphenyl)heptan-4-amine

C15H25N — CID 64503666

IUPAC1-(3,4-dimethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-4-6-15(16)8-5-7-14-10-9-12(2)13(3)11-14/h9-11,15H,4-8,16H2,1-3H3
InChIKeyOEKZTSAOGWYZDA-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.75
Rot. Bonds6

About 1-(3,4-dimethylphenyl)heptan-4-amine

1-(3,4-dimethylphenyl)heptan-4-amine (PubChem CID 64503666) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)heptan-4-amine
PubChem CID64503666
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3,4-dimethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-4-6-15(16)8-5-7-14-10-9-12(2)13(3)11-14/h9-11,15H,4-8,16H2,1-3H3
InChIKeyOEKZTSAOGWYZDA-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(4-aminoheptyl)aniline
CID 83928416
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
1-(3-bromophenyl)heptan-4-amine
CID 64504358
6-(4-bromo-3-methylphenyl)hexan-3-amine
CID 83936315
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)heptan-4-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)heptan-4-amine (CID 64503666) is 1-(3,4-dimethylphenyl)heptan-4-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)heptan-4-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)heptan-4-amine is CCCC(N)CCCc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)heptan-4-amine?
The InChIKey is OEKZTSAOGWYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-15(16)8-5-7-14-10-9-12(2)13(3)11-14/h9-11,15H,4-8,16H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)heptan-4-amine?
1-(3,4-dimethylphenyl)heptan-4-amine has a molecular weight of 219.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)heptan-4-amine is sourced from PubChem (CID 64503666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).