5-(3-methylphenyl)pentan-2-amine

C12H19N — CID 64502928

IUPAC5-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(CCCC(C)N)c1
InChIInChI=1S/C12H19N/c1-10-5-3-7-12(9-10)8-4-6-11(2)13/h3,5,7,9,11H,4,6,8,13H2,1-2H3
InChIKeyGOFBZRIUUXHWKG-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.66
Rot. Bonds4

About 5-(3-methylphenyl)pentan-2-amine

5-(3-methylphenyl)pentan-2-amine (PubChem CID 64502928) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(3-methylphenyl)pentan-2-amine
PubChem CID64502928
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(CCCC(C)N)c1
InChIInChI=1S/C12H19N/c1-10-5-3-7-12(9-10)8-4-6-11(2)13/h3,5,7,9,11H,4,6,8,13H2,1-2H3
InChIKeyGOFBZRIUUXHWKG-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
3-(3-methylphenyl)propan-1-amine
CID 12666388
6-(3-methylphenyl)hexan-3-ol
CID 64513249
5-(3-methylsulfonylphenyl)pentan-2-amine
CID 83926465
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
CID 65296439
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
5-(4-chloro-3-methylphenyl)pentan-2-amine
CID 83937390
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)pentan-2-amine?
The IUPAC name of 5-(3-methylphenyl)pentan-2-amine (CID 64502928) is 5-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 5-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for 5-(3-methylphenyl)pentan-2-amine is Cc1cccc(CCCC(C)N)c1.
What is the InChIKey of 5-(3-methylphenyl)pentan-2-amine?
The InChIKey is GOFBZRIUUXHWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-5-3-7-12(9-10)8-4-6-11(2)13/h3,5,7,9,11H,4,6,8,13H2,1-2H3.
What are the key properties of 5-(3-methylphenyl)pentan-2-amine?
5-(3-methylphenyl)pentan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 64502928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).