4-(3-methylphenyl)pentan-2-amine

C12H19N — CID 64719404

IUPAC4-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(C(C)CC(C)N)c1
InChIInChI=1S/C12H19N/c1-9-5-4-6-12(7-9)10(2)8-11(3)13/h4-7,10-11H,8,13H2,1-3H3
InChIKeyNUTOYDMCQSSPJP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.84
Rot. Bonds3

About 4-(3-methylphenyl)pentan-2-amine

4-(3-methylphenyl)pentan-2-amine (PubChem CID 64719404) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)pentan-2-amine
PubChem CID64719404
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(C(C)CC(C)N)c1
InChIInChI=1S/C12H19N/c1-9-5-4-6-12(7-9)10(2)8-11(3)13/h4-7,10-11H,8,13H2,1-3H3
InChIKeyNUTOYDMCQSSPJP-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromophenyl)pentan-2-amine
CID 83912731
4-(3-fluorophenyl)pentan-2-amine
CID 64719405
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
2-(3-methylphenyl)propan-1-ol
CID 21478686
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
4-(3-methylphenyl)octane-2,6-diamine;dihydrochloride
CID 170889803
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
(3S)-3-(3-methylphenyl)butanenitrile
CID 102340136
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
5-[4,4-bis(3-methylphenyl)butan-2-yl]-1,2,3-trimethylbenzene
CID 59091148

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)pentan-2-amine?
The IUPAC name of 4-(3-methylphenyl)pentan-2-amine (CID 64719404) is 4-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)pentan-2-amine is Cc1cccc(C(C)CC(C)N)c1.
What is the InChIKey of 4-(3-methylphenyl)pentan-2-amine?
The InChIKey is NUTOYDMCQSSPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-5-4-6-12(7-9)10(2)8-11(3)13/h4-7,10-11H,8,13H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)pentan-2-amine?
4-(3-methylphenyl)pentan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 64719404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).