3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine

C16H22ClN — CID 104530462

IUPAC3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Cl)cc2)C1)C1CCC1
InChIInChI=1S/C16H22ClN/c1-11(12-3-2-4-12)18-16-9-14(10-16)13-5-7-15(17)8-6-13/h5-8,11-12,14,16,18H,2-4,9-10H2,1H3
InChIKeyMUMNCLOQZXNSFF-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.36
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine (PubChem CID 104530462) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
PubChem CID104530462
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Cl)cc2)C1)C1CCC1
InChIInChI=1S/C16H22ClN/c1-11(12-3-2-4-12)18-16-9-14(10-16)13-5-7-15(17)8-6-13/h5-8,11-12,14,16,18H,2-4,9-10H2,1H3
InChIKeyMUMNCLOQZXNSFF-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
3-(4-bromophenyl)-N-[(1R)-1-cycloheptylethyl]cyclobutan-1-amine
CID 81390863
3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine
CID 81384574
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 104530256
3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
CID 83007014
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 115889451
3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
CID 43675913
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine (CID 104530462) is 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine is CC(NC1CC(c2ccc(Cl)cc2)C1)C1CCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine?
The InChIKey is MUMNCLOQZXNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-11(12-3-2-4-12)18-16-9-14(10-16)13-5-7-15(17)8-6-13/h5-8,11-12,14,16,18H,2-4,9-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine has a molecular weight of 263.81 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine is sourced from PubChem (CID 104530462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).