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

C15H25N — CID 83927883

IUPAC4-(3,4-dimethylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-4-6-14(7-5-10-16)15-9-8-12(2)13(3)11-15/h8-9,11,14H,4-7,10,16H2,1-3H3
InChIKeyADNSAHTXLKWQKQ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.93
Rot. Bonds6

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

4-(3,4-dimethylphenyl)heptan-1-amine (PubChem CID 83927883) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)heptan-1-amine
PubChem CID83927883
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-(3,4-dimethylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-4-6-14(7-5-10-16)15-9-8-12(2)13(3)11-15/h8-9,11,14H,4-7,10,16H2,1-3H3
InChIKeyADNSAHTXLKWQKQ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)heptan-1-amine
CID 83931131
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
4-(4-propylphenyl)heptan-1-amine
CID 83921500
3-(1-aminoheptan-4-yl)phenol
CID 83930253
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
4-(4-methylsulfonylphenyl)heptan-1-amine
CID 83926289
4-(3-ethylsulfonylphenyl)heptan-1-amine
CID 83926542
2-(2-aminoethyl)-1-(3,4-dimethylphenyl)hexan-1-ol
CID 142028517
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
2-(3,4-dimethylphenyl)hexan-3-amine
CID 83047483
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)heptan-1-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)heptan-1-amine (CID 83927883) is 4-(3,4-dimethylphenyl)heptan-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)heptan-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)heptan-1-amine is CCCC(CCCN)c1ccc(C)c(C)c1.
What is the InChIKey of 4-(3,4-dimethylphenyl)heptan-1-amine?
The InChIKey is ADNSAHTXLKWQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-14(7-5-10-16)15-9-8-12(2)13(3)11-15/h8-9,11,14H,4-7,10,16H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)heptan-1-amine?
4-(3,4-dimethylphenyl)heptan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)heptan-1-amine is sourced from PubChem (CID 83927883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).