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

C10H14ClN — CID 83696792

IUPAC3-(2-chloro-3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCCN)c1Cl
InChIInChI=1S/C10H14ClN/c1-8-4-2-5-9(10(8)11)6-3-7-12/h2,4-5H,3,6-7,12H2,1H3
InChIKeyPELKDROJPFIHGF-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.54
Rot. Bonds3

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

3-(2-chloro-3-methylphenyl)propan-1-amine (PubChem CID 83696792) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-(2-chloro-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-3-methylphenyl)propan-1-amine
PubChem CID83696792
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-(2-chloro-3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCCN)c1Cl
InChIInChI=1S/C10H14ClN/c1-8-4-2-5-9(10(8)11)6-3-7-12/h2,4-5H,3,6-7,12H2,1H3
InChIKeyPELKDROJPFIHGF-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70348406
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1-butyl-2-chloro-3-ethylbenzene
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3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine
CID 142007864
2-(2-chloro-3-methylphenyl)acetaldehyde
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3-(2-tert-butylphenyl)propan-1-amine
CID 84772141

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-3-methylphenyl)propan-1-amine (CID 83696792) is 3-(2-chloro-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-3-methylphenyl)propan-1-amine is Cc1cccc(CCCN)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methylphenyl)propan-1-amine?
The InChIKey is PELKDROJPFIHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-8-4-2-5-9(10(8)11)6-3-7-12/h2,4-5H,3,6-7,12H2,1H3.
What are the key properties of 3-(2-chloro-3-methylphenyl)propan-1-amine?
3-(2-chloro-3-methylphenyl)propan-1-amine has a molecular weight of 183.68 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 83696792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).