N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine

C12H16ClN — CID 130727776

IUPACN-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
SMILESCc1cc(Cl)cc(CNC2CCC2)c1
InChIInChI=1S/C12H16ClN/c1-9-5-10(7-11(13)6-9)8-14-12-3-2-4-12/h5-7,12,14H,2-4,8H2,1H3
InChIKeyJAMCEXUKPRAIBH-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.29
Rot. Bonds3

About N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine

N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine (PubChem CID 130727776) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
PubChem CID130727776
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
SMILESCc1cc(Cl)cc(CNC2CCC2)c1
InChIInChI=1S/C12H16ClN/c1-9-5-10(7-11(13)6-9)8-14-12-3-2-4-12/h5-7,12,14H,2-4,8H2,1H3
InChIKeyJAMCEXUKPRAIBH-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
N-[(3-chloro-5-methylphenyl)methyl]-3,4-bis(1-methoxyethenyl)cyclohex-3-en-1-amine
CID 177062759
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[[3-chloro-5-(3-methoxyprop-1-enyl)phenyl]methyl]cyclopropanamine
CID 66896178
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(3-chloro-5-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114452947
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine (CID 130727776) is N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine is Cc1cc(Cl)cc(CNC2CCC2)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine?
The InChIKey is JAMCEXUKPRAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-5-10(7-11(13)6-9)8-14-12-3-2-4-12/h5-7,12,14H,2-4,8H2,1H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine?
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine has a molecular weight of 209.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 130727776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).