3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine

C17H26ClN — CID 43635714

IUPAC3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
SMILESCCCCCC(C)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C17H26ClN/c1-3-4-5-8-13(2)19-15-11-14(12-15)16-9-6-7-10-17(16)18/h6-7,9-10,13-15,19H,3-5,8,11-12H2,1-2H3
InChIKeyBXBISWFFMRRJFY-UHFFFAOYSA-N
MW279.85 g/mol
LogP5.14
Rot. Bonds7

About 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine

3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine (PubChem CID 43635714) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
PubChem CID43635714
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
SMILESCCCCCC(C)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C17H26ClN/c1-3-4-5-8-13(2)19-15-11-14(12-15)16-9-6-7-10-17(16)18/h6-7,9-10,13-15,19H,3-5,8,11-12H2,1-2H3
InChIKeyBXBISWFFMRRJFY-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635717
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
CID 106348762
2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634747
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
CID 43732446
N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
N-[3-(2-chlorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634888
3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
CID 114118781
2,6-dichloro-N-octan-2-ylaniline
CID 65469716
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine (CID 43635714) is 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine is CCCCCC(C)NC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine?
The InChIKey is BXBISWFFMRRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-3-4-5-8-13(2)19-15-11-14(12-15)16-9-6-7-10-17(16)18/h6-7,9-10,13-15,19H,3-5,8,11-12H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine?
3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 43635714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).