3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine

C19H30ClN — CID 43634782

IUPAC3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
SMILESCC(C)CCCCCCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H30ClN/c1-15(2)7-5-3-4-6-12-21-19-13-17(14-19)16-8-10-18(20)11-9-16/h8-11,15,17,19,21H,3-7,12-14H2,1-2H3
InChIKeySAPCDLCQJQRWEF-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.78
Rot. Bonds9

About 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine (PubChem CID 43634782) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
PubChem CID43634782
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
SMILESCC(C)CCCCCCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H30ClN/c1-15(2)7-5-3-4-6-12-21-19-13-17(14-19)16-8-10-18(20)11-9-16/h8-11,15,17,19,21H,3-7,12-14H2,1-2H3
InChIKeySAPCDLCQJQRWEF-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-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-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
3-(4-bromophenyl)-N-(5-methylhexyl)cyclobutan-1-amine
CID 115325074
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
CID 104530475
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
3-methyl-N-(7-methyloctyl)cyclobutan-1-amine
CID 103560965
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856
3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
CID 43634769
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine (CID 43634782) is 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine is CC(C)CCCCCCNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
The InChIKey is SAPCDLCQJQRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-15(2)7-5-3-4-6-12-21-19-13-17(14-19)16-8-10-18(20)11-9-16/h8-11,15,17,19,21H,3-7,12-14H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine is sourced from PubChem (CID 43634782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).