N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine

C18H19ClFN — CID 81349466

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccccc2F)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFN/c1-12(13-6-8-15(19)9-7-13)21-16-10-14(11-16)17-4-2-3-5-18(17)20/h2-9,12,14,16,21H,10-11H2,1H3/t12-,14?,16?/m1/s1
InChIKeyJNIZYLCZBSIVDI-XEBKBJJBSA-N
MW303.81 g/mol
LogP5.08
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine (PubChem CID 81349466) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
PubChem CID81349466
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
SMILESC[C@@H](NC1CC(c2ccccc2F)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFN/c1-12(13-6-8-15(19)9-7-13)21-16-10-14(11-16)17-4-2-3-5-18(17)20/h2-9,12,14,16,21H,10-11H2,1H3/t12-,14?,16?/m1/s1
InChIKeyJNIZYLCZBSIVDI-XEBKBJJBSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)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

3-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)cyclobutan-1-amine
CID 62841675
N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560864
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736
3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634220
3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide
CID 115676927
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
N-[(1S)-1-(4-chlorophenyl)ethyl]oxetan-3-amine
CID 81352324
3-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79462351
3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749170

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine (CID 81349466) is N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine is C[C@@H](NC1CC(c2ccccc2F)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine?
The InChIKey is JNIZYLCZBSIVDI-XEBKBJJBSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-12(13-6-8-15(19)9-7-13)21-16-10-14(11-16)17-4-2-3-5-18(17)20/h2-9,12,14,16,21H,10-11H2,1H3/t12-,14?,16?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine has a molecular weight of 303.81 g/mol, XLogP of 5.08, 4 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-(2-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 81349466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).