N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine

C13H18ClN — CID 106816243

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
SMILESCc1ccc(CNC(C)C2CC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-3-4-11(7-13(9)14)8-15-10(2)12-5-6-12/h3-4,7,10,12,15H,5-6,8H2,1-2H3
InChIKeyVRIMABROLKWQPH-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.54
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine

N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine (PubChem CID 106816243) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
PubChem CID106816243
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
SMILESCc1ccc(CNC(C)C2CC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-3-4-11(7-13(9)14)8-15-10(2)12-5-6-12/h3-4,7,10,12,15H,5-6,8H2,1-2H3
InChIKeyVRIMABROLKWQPH-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
CID 106816843
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 62539575
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
CID 83231090
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine (CID 106816243) is N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine is Cc1ccc(CNC(C)C2CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine?
The InChIKey is VRIMABROLKWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-3-4-11(7-13(9)14)8-15-10(2)12-5-6-12/h3-4,7,10,12,15H,5-6,8H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine?
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine is sourced from PubChem (CID 106816243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).