3-(3-methylphenyl)pentan-1-amine

C12H19N — CID 82074944

IUPAC3-(3-methylphenyl)pentan-1-amine
SMILESCCC(CCN)c1cccc(C)c1
InChIInChI=1S/C12H19N/c1-3-11(7-8-13)12-6-4-5-10(2)9-12/h4-6,9,11H,3,7-8,13H2,1-2H3
InChIKeyFSUZBILYWSXHGB-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.84
Rot. Bonds4

About 3-(3-methylphenyl)pentan-1-amine

3-(3-methylphenyl)pentan-1-amine (PubChem CID 82074944) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(3-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)pentan-1-amine
PubChem CID82074944
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-(3-methylphenyl)pentan-1-amine
SMILESCCC(CCN)c1cccc(C)c1
InChIInChI=1S/C12H19N/c1-3-11(7-8-13)12-6-4-5-10(2)9-12/h4-6,9,11H,3,7-8,13H2,1-2H3
InChIKeyFSUZBILYWSXHGB-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
1-(1-chloropentan-2-yl)-3-methylbenzene
CID 79417033
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
4-(3-methylphenyl)octane-2,6-diamine;dihydrochloride
CID 170889803
(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253180
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)pentan-1-amine?
The IUPAC name of 3-(3-methylphenyl)pentan-1-amine (CID 82074944) is 3-(3-methylphenyl)pentan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)pentan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)pentan-1-amine is CCC(CCN)c1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenyl)pentan-1-amine?
The InChIKey is FSUZBILYWSXHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-11(7-8-13)12-6-4-5-10(2)9-12/h4-6,9,11H,3,7-8,13H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)pentan-1-amine?
3-(3-methylphenyl)pentan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)pentan-1-amine is sourced from PubChem (CID 82074944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).