(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine

C13H18ClN — CID 97321615

IUPAC(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
SMILESC[C@@H](NCc1cccc(Cl)c1)C1CCC1
InChIInChI=1S/C13H18ClN/c1-10(12-5-3-6-12)15-9-11-4-2-7-13(14)8-11/h2,4,7-8,10,12,15H,3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyBRMRSNMBWRAXFM-SNVBAGLBSA-N
MW223.75 g/mol
LogP3.62
Rot. Bonds4

About (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine

(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine (PubChem CID 97321615) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
PubChem CID97321615
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
SMILESC[C@@H](NCc1cccc(Cl)c1)C1CCC1
InChIInChI=1S/C13H18ClN/c1-10(12-5-3-6-12)15-9-11-4-2-7-13(14)8-11/h2,4,7-8,10,12,15H,3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyBRMRSNMBWRAXFM-SNVBAGLBSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine 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

(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine?
The IUPAC name of (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine (CID 97321615) is (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine.
What is the SMILES notation for (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine?
The canonical SMILES for (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine is C[C@@H](NCc1cccc(Cl)c1)C1CCC1.
What is the InChIKey of (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine?
The InChIKey is BRMRSNMBWRAXFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(12-5-3-6-12)15-9-11-4-2-7-13(14)8-11/h2,4,7-8,10,12,15H,3,5-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine?
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine is sourced from PubChem (CID 97321615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).