N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine

C12H16ClN — CID 106862588

IUPACN-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
SMILESCc1ccc(CNC2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-9-5-6-10(12(13)7-9)8-14-11-3-2-4-11/h5-7,11,14H,2-4,8H2,1H3
InChIKeyBNXXZELGDOOAEA-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.29
Rot. Bonds3

About N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine

N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine (PubChem CID 106862588) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
PubChem CID106862588
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
SMILESCc1ccc(CNC2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-9-5-6-10(12(13)7-9)8-14-11-3-2-4-11/h5-7,11,14H,2-4,8H2,1H3
InChIKeyBNXXZELGDOOAEA-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-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-[(cyclobutylamino)methyl]-5-methylbenzoic acid
CID 117220813
N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 106862537
N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 106870096
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106863004
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine (CID 106862588) is N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine is Cc1ccc(CNC2CCC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine?
The InChIKey is BNXXZELGDOOAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-5-6-10(12(13)7-9)8-14-11-3-2-4-11/h5-7,11,14H,2-4,8H2,1H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine?
N-[(2-chloro-4-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-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 106862588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).