1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine

C12H16ClN — CID 81017888

IUPAC1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-14-8-10-4-7-12(10)9-2-5-11(13)6-3-9/h2-3,5-6,10,12,14H,4,7-8H2,1H3
InChIKeyWGUBZTJNHDQGDG-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.05
Rot. Bonds3

About 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine

1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 81017888) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
PubChem CID81017888
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-14-8-10-4-7-12(10)9-2-5-11(13)6-3-9/h2-3,5-6,10,12,14H,4,7-8H2,1H3
InChIKeyWGUBZTJNHDQGDG-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
CID 81028814
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81028545
1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027973
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
CID 81016865
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
1-[2-(4-fluoro-3-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 81034558
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80996129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine (CID 81017888) is 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is WGUBZTJNHDQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-14-8-10-4-7-12(10)9-2-5-11(13)6-3-9/h2-3,5-6,10,12,14H,4,7-8H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine?
1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 209.72 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81017888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).