3-(3,4-dimethylphenyl)-2-methylpentan-3-amine

C14H23N — CID 62550637

IUPAC3-(3,4-dimethylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C14H23N/c1-6-14(15,10(2)3)13-8-7-11(4)12(5)9-13/h7-10H,6,15H2,1-5H3
InChIKeyRUPDWLUNDIHMHI-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.52
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine

3-(3,4-dimethylphenyl)-2-methylpentan-3-amine (PubChem CID 62550637) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-methylpentan-3-amine
PubChem CID62550637
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(3,4-dimethylphenyl)-2-methylpentan-3-amine
SMILESCCC(N)(c1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C14H23N/c1-6-14(15,10(2)3)13-8-7-11(4)12(5)9-13/h7-10H,6,15H2,1-5H3
InChIKeyRUPDWLUNDIHMHI-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
3-(4-tert-butylphenyl)-2-methylpentan-3-amine
CID 63408030
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
2-(3,4-dimethylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 112567003
3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-amine
CID 65313598
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
CID 112514958
2-(3,4-dimethylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115002182
5-(2,3-dimethylpentan-3-yl)-2-methylphenol
CID 175623651
4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
4-(3,4-dimethylphenyl)-4,4-difluoro-2-methylbutan-2-amine
CID 116839496

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine (CID 62550637) is 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine is CCC(N)(c1ccc(C)c(C)c1)C(C)C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine?
The InChIKey is RUPDWLUNDIHMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-14(15,10(2)3)13-8-7-11(4)12(5)9-13/h7-10H,6,15H2,1-5H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine?
3-(3,4-dimethylphenyl)-2-methylpentan-3-amine has a molecular weight of 205.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 62550637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).