3-(2-methylphenyl)propan-1-amine

C10H15N — CID 12564269

IUPAC3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCCN
InChIInChI=1S/C10H15N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7-8,11H2,1H3
InChIKeyLUYOTDGHRZDHDB-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.89
Rot. Bonds3

About 3-(2-methylphenyl)propan-1-amine

3-(2-methylphenyl)propan-1-amine (PubChem CID 12564269) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)propan-1-amine
PubChem CID12564269
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCCN
InChIInChI=1S/C10H15N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7-8,11H2,1H3
InChIKeyLUYOTDGHRZDHDB-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-methylphenyl)propan-1-amine (CID 12564269) is 3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CCCN.
What is the InChIKey of 3-(2-methylphenyl)propan-1-amine?
The InChIKey is LUYOTDGHRZDHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7-8,11H2,1H3.
What are the key properties of 3-(2-methylphenyl)propan-1-amine?
3-(2-methylphenyl)propan-1-amine has a molecular weight of 149.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 12564269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).