1-(4-chloro-3-methylphenyl)propan-1-amine

C10H14ClN — CID 15594744

IUPAC1-(4-chloro-3-methylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H14ClN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6,10H,3,12H2,1-2H3
InChIKeyCKQYITILEZTMQL-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.06
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)propan-1-amine

1-(4-chloro-3-methylphenyl)propan-1-amine (PubChem CID 15594744) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)propan-1-amine
PubChem CID15594744
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-(4-chloro-3-methylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H14ClN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6,10H,3,12H2,1-2H3
InChIKeyCKQYITILEZTMQL-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
5-(1-aminopropyl)-2-chloroaniline
CID 67750170
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
CID 130664699
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
(2S)-2-amino-2-(4-chloro-3-methylphenyl)acetonitrile
CID 130685286
2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 175078061
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine
CID 130737749
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)propan-1-amine (CID 15594744) is 1-(4-chloro-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)propan-1-amine is CCC(N)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)propan-1-amine?
The InChIKey is CKQYITILEZTMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6,10H,3,12H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)propan-1-amine?
1-(4-chloro-3-methylphenyl)propan-1-amine has a molecular weight of 183.68 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 15594744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).