3-(3-chloro-5-methylphenyl)propan-1-amine

C10H14ClN — CID 83696794

IUPAC3-(3-chloro-5-methylphenyl)propan-1-amine
SMILESCc1cc(Cl)cc(CCCN)c1
InChIInChI=1S/C10H14ClN/c1-8-5-9(3-2-4-12)7-10(11)6-8/h5-7H,2-4,12H2,1H3
InChIKeyKMTJASQBBZYVMH-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.54
Rot. Bonds3

About 3-(3-chloro-5-methylphenyl)propan-1-amine

3-(3-chloro-5-methylphenyl)propan-1-amine (PubChem CID 83696794) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)propan-1-amine
PubChem CID83696794
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-(3-chloro-5-methylphenyl)propan-1-amine
SMILESCc1cc(Cl)cc(CCCN)c1
InChIInChI=1S/C10H14ClN/c1-8-5-9(3-2-4-12)7-10(11)6-8/h5-7H,2-4,12H2,1H3
InChIKeyKMTJASQBBZYVMH-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

5-(3,5-dichlorophenyl)pentan-1-amine
CID 158105939
O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
CID 117280299
(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433
3-(3-chloro-5-prop-1-en-2-ylphenyl)propan-1-amine
CID 117299694
1-chloro-3-methyl-5-(3-methylpentyl)benzene
CID 170769556
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
4-(3-chloro-5-fluorophenyl)butan-1-amine
CID 114454855
1-chloro-3-methyl-5-[2-(4-methylphenyl)ethyl]benzene;2-methylperoxyethanamine
CID 142875509
3-(3-methylphenyl)propan-1-amine
CID 12666388
O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine
CID 117276898
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-5-methylphenyl)propan-1-amine (CID 83696794) is 3-(3-chloro-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)propan-1-amine is Cc1cc(Cl)cc(CCCN)c1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)propan-1-amine?
The InChIKey is KMTJASQBBZYVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-8-5-9(3-2-4-12)7-10(11)6-8/h5-7H,2-4,12H2,1H3.
What are the key properties of 3-(3-chloro-5-methylphenyl)propan-1-amine?
3-(3-chloro-5-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-(3-chloro-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 83696794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).