1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine

C12H16ClN — CID 106870484

IUPAC1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(CC2(N)CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-9-3-4-10(11(13)7-9)8-12(14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyWELQTLHQRMOIGW-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.07
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine

1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 106870484) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID106870484
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(CC2(N)CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-9-3-4-10(11(13)7-9)8-12(14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyWELQTLHQRMOIGW-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(4-bromo-2-chlorophenyl)methyl]cycloheptan-1-amine
CID 113471164
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
CID 65317862
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106869510
3-[(2-chloro-4-methylphenyl)methyl]-3-fluorocyclohexan-1-amine
CID 106871133
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820
[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 106870628
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
4-[(2-chloro-4-methylphenyl)methyl]-4-fluoroazepane
CID 106871135

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine (CID 106870484) is 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine is Cc1ccc(CC2(N)CCC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is WELQTLHQRMOIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-3-4-10(11(13)7-9)8-12(14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine?
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 106870484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).