1-(2,5-dimethylphenyl)pentan-3-amine

C13H21N — CID 61481640

IUPAC1-(2,5-dimethylphenyl)pentan-3-amine
SMILESCCC(N)CCc1cc(C)ccc1C
InChIInChI=1S/C13H21N/c1-4-13(14)8-7-12-9-10(2)5-6-11(12)3/h5-6,9,13H,4,7-8,14H2,1-3H3
InChIKeyQOBSCMWKTSTZRF-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.97
Rot. Bonds4

About 1-(2,5-dimethylphenyl)pentan-3-amine

1-(2,5-dimethylphenyl)pentan-3-amine (PubChem CID 61481640) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)pentan-3-amine
PubChem CID61481640
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(2,5-dimethylphenyl)pentan-3-amine
SMILESCCC(N)CCc1cc(C)ccc1C
InChIInChI=1S/C13H21N/c1-4-13(14)8-7-12-9-10(2)5-6-11(12)3/h5-6,9,13H,4,7-8,14H2,1-3H3
InChIKeyQOBSCMWKTSTZRF-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)hexane-3,4-diol
CID 83928188
(2S)-2-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 94767216
2-(3-chloro-4,4-dimethylpentyl)-1,4-dimethylbenzene
CID 63460011
1-(3,5-dimethylphenyl)pentan-3-amine
CID 61028889
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
6-(2,4-dimethylphenyl)heptan-3-amine
CID 83927991
5-(2,5-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 65304462
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
1-(2,3,5,6-tetramethylphenyl)pentan-3-amine
CID 82472484
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)pentan-3-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)pentan-3-amine (CID 61481640) is 1-(2,5-dimethylphenyl)pentan-3-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)pentan-3-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)pentan-3-amine is CCC(N)CCc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)pentan-3-amine?
The InChIKey is QOBSCMWKTSTZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-13(14)8-7-12-9-10(2)5-6-11(12)3/h5-6,9,13H,4,7-8,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)pentan-3-amine?
1-(2,5-dimethylphenyl)pentan-3-amine has a molecular weight of 191.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)pentan-3-amine is sourced from PubChem (CID 61481640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).