3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine

C15H18ClN — CID 63999517

IUPAC3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine
SMILESC#CC(C)(C)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClN/c1-4-15(2,3)17-14-9-12(10-14)11-5-7-13(16)8-6-11/h1,5-8,12,14,17H,9-10H2,2-3H3
InChIKeyNAFVNDLFHGYMKV-UHFFFAOYSA-N
MW247.77 g/mol
LogP3.59
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine (PubChem CID 63999517) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine
PubChem CID63999517
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine
SMILESC#CC(C)(C)NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClN/c1-4-15(2,3)17-14-9-12(10-14)11-5-7-13(16)8-6-11/h1,5-8,12,14,17H,9-10H2,2-3H3
InChIKeyNAFVNDLFHGYMKV-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate
CID 43726137
2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline
CID 65470101
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
CID 104530299
N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633620
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
CID 62318692
N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
CID 83007014
3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 104530256
N-[3-(4-chlorophenyl)cyclobutyl]-2,4,5-trifluoroaniline
CID 63478390
N-[3-(4-chlorophenyl)cyclobutyl]-2-ethylsulfanylaniline
CID 63453439
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine (CID 63999517) is 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine is C#CC(C)(C)NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine?
The InChIKey is NAFVNDLFHGYMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-4-15(2,3)17-14-9-12(10-14)11-5-7-13(16)8-6-11/h1,5-8,12,14,17H,9-10H2,2-3H3.
What are the key properties of 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine has a molecular weight of 247.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-methylbut-3-yn-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 63999517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).