1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine

C13H18ClN — CID 107561849

IUPAC1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
SMILESCc1ccc(C(N)C(C)C2CC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-8-3-4-11(7-12(8)14)13(15)9(2)10-5-6-10/h3-4,7,9-10,13H,5-6,15H2,1-2H3
InChIKeyIVHXJSCYLVIMEE-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.69
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine

1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine (PubChem CID 107561849) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
PubChem CID107561849
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
SMILESCc1ccc(C(N)C(C)C2CC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-8-3-4-11(7-12(8)14)13(15)9(2)10-5-6-10/h3-4,7,9-10,13H,5-6,15H2,1-2H3
InChIKeyIVHXJSCYLVIMEE-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
CID 131581688
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
CID 83154402
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
(1S,2R)-1-amino-1-(3-chloro-4-methylphenyl)-3-methylpentan-2-ol
CID 171267982
2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157
1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine (CID 107561849) is 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine is Cc1ccc(C(N)C(C)C2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine?
The InChIKey is IVHXJSCYLVIMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-8-3-4-11(7-12(8)14)13(15)9(2)10-5-6-10/h3-4,7,9-10,13H,5-6,15H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine?
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 107561849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).