N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine

C13H18ClN — CID 103562140

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(N[C@H](C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN/c1-9-7-13(8-9)15-10(2)11-3-5-12(14)6-4-11/h3-6,9-10,13,15H,7-8H2,1-2H3/t9?,10-,13?/m1/s1
InChIKeyOWBOPJPCNAKDAF-RUETXSTFSA-N
MW223.75 g/mol
LogP3.79
Rot. Bonds3

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine (PubChem CID 103562140) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
PubChem CID103562140
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(N[C@H](C)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN/c1-9-7-13(8-9)15-10(2)11-3-5-12(14)6-4-11/h3-6,9-10,13,15H,7-8H2,1-2H3/t9?,10-,13?/m1/s1
InChIKeyOWBOPJPCNAKDAF-RUETXSTFSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560864
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64753603
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
CID 81352324
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile
CID 115906392
3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine (CID 103562140) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine is CC1CC(N[C@H](C)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine?
The InChIKey is OWBOPJPCNAKDAF-RUETXSTFSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-7-13(8-9)15-10(2)11-3-5-12(14)6-4-11/h3-6,9-10,13,15H,7-8H2,1-2H3/t9?,10-,13?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 103562140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).