4-(2,4-dimethylphenyl)pentan-2-amine

C13H21N — CID 64721851

IUPAC4-(2,4-dimethylphenyl)pentan-2-amine
SMILESCc1ccc(C(C)CC(C)N)c(C)c1
InChIInChI=1S/C13H21N/c1-9-5-6-13(10(2)7-9)11(3)8-12(4)14/h5-7,11-12H,8,14H2,1-4H3
InChIKeySFXCOBAPEINUDQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds3

About 4-(2,4-dimethylphenyl)pentan-2-amine

4-(2,4-dimethylphenyl)pentan-2-amine (PubChem CID 64721851) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)pentan-2-amine
PubChem CID64721851
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-(2,4-dimethylphenyl)pentan-2-amine
SMILESCc1ccc(C(C)CC(C)N)c(C)c1
InChIInChI=1S/C13H21N/c1-9-5-6-13(10(2)7-9)11(3)8-12(4)14/h5-7,11-12H,8,14H2,1-4H3
InChIKeySFXCOBAPEINUDQ-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
6-(2,4-dimethylphenyl)heptan-3-amine
CID 83927991
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-(2,4-dimethylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43138783

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)pentan-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)pentan-2-amine (CID 64721851) is 4-(2,4-dimethylphenyl)pentan-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)pentan-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)pentan-2-amine is Cc1ccc(C(C)CC(C)N)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)pentan-2-amine?
The InChIKey is SFXCOBAPEINUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9-5-6-13(10(2)7-9)11(3)8-12(4)14/h5-7,11-12H,8,14H2,1-4H3.
What are the key properties of 4-(2,4-dimethylphenyl)pentan-2-amine?
4-(2,4-dimethylphenyl)pentan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)pentan-2-amine is sourced from PubChem (CID 64721851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).