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

C10H15N — CID 12666388

IUPAC3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCCN)c1
InChIInChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,8H,3,6-7,11H2,1H3
InChIKeyRPZPBNSHVQMWNY-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.89
Rot. Bonds3

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

3-(3-methylphenyl)propan-1-amine (PubChem CID 12666388) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)propan-1-amine
PubChem CID12666388
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCCN)c1
InChIInChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,8H,3,6-7,11H2,1H3
InChIKeyRPZPBNSHVQMWNY-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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Related Compounds

ethane;4-(3-methylphenyl)butan-1-amine
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CID 22920080
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
3-[3-[(Z)-2-(2,5-dimethylphenyl)ethenyl]phenyl]propan-1-amine
CID 25100109
5-(3-methylphenyl)pentan-2-amine
CID 64502928
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
2-(3-methylphenyl)ethanolate
CID 142208639
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-methylphenyl)propan-1-amine (CID 12666388) is 3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)propan-1-amine is Cc1cccc(CCCN)c1.
What is the InChIKey of 3-(3-methylphenyl)propan-1-amine?
The InChIKey is RPZPBNSHVQMWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,8H,3,6-7,11H2,1H3.
What are the key properties of 3-(3-methylphenyl)propan-1-amine?
3-(3-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-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 12666388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).