3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine

C16H24ClN — CID 54954950

IUPAC3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
SMILESCCC(NC1CC(c2cccc(Cl)c2)C1)C(C)C
InChIInChI=1S/C16H24ClN/c1-4-16(11(2)3)18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,11,13,15-16,18H,4,9-10H2,1-3H3
InChIKeyZMYLFBXBXQGMNB-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine

3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine (PubChem CID 54954950) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
PubChem CID54954950
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
SMILESCCC(NC1CC(c2cccc(Cl)c2)C1)C(C)C
InChIInChI=1S/C16H24ClN/c1-4-16(11(2)3)18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,11,13,15-16,18H,4,9-10H2,1-3H3
InChIKeyZMYLFBXBXQGMNB-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
3-(3-chlorophenyl)-N-hex-1-yn-3-ylcyclobutan-1-amine
CID 106226917
3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749409
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749174
3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81402505

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine (CID 54954950) is 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine is CCC(NC1CC(c2cccc(Cl)c2)C1)C(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The InChIKey is ZMYLFBXBXQGMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-4-16(11(2)3)18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,11,13,15-16,18H,4,9-10H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 54954950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).