1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine

C14H20ClN — CID 65459954

IUPAC1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)CC1CCC1
InChIInChI=1S/C14H20ClN/c1-16-13(9-11-5-4-6-11)10-12-7-2-3-8-14(12)15/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3
InChIKeyVKRKYLLKJRFVGG-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.66
Rot. Bonds5

About 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine

1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine (PubChem CID 65459954) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
PubChem CID65459954
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)CC1CCC1
InChIInChI=1S/C14H20ClN/c1-16-13(9-11-5-4-6-11)10-12-7-2-3-8-14(12)15/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3
InChIKeyVKRKYLLKJRFVGG-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
[2-(2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105209625
4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 107312312
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
2-(2-chlorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179450
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
[1-cyclobutyl-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105208383

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine (CID 65459954) is 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine is CNC(Cc1ccccc1Cl)CC1CCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
The InChIKey is VKRKYLLKJRFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-16-13(9-11-5-4-6-11)10-12-7-2-3-8-14(12)15/h2-3,7-8,11,13,16H,4-6,9-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine?
1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine has a molecular weight of 237.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine is sourced from PubChem (CID 65459954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).