4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine

C16H23ClFN — CID 69397295

IUPAC4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCC1(c2ccc(Cl)cc2F)CCC1
InChIInChI=1S/C16H23ClFN/c1-19(2)11-4-3-8-16(9-5-10-16)14-7-6-13(17)12-15(14)18/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyYRWMHDSUODZXRK-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.63
Rot. Bonds6

About 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine

4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine (PubChem CID 69397295) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
PubChem CID69397295
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCC1(c2ccc(Cl)cc2F)CCC1
InChIInChI=1S/C16H23ClFN/c1-19(2)11-4-3-8-16(9-5-10-16)14-7-6-13(17)12-15(14)18/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyYRWMHDSUODZXRK-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-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-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
CID 57115633
4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene
CID 175792533
N-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]methyl]formamide
CID 110477177
3-[5-(aminomethyl)-7-chloro-3,4-dihydro-2H-1-benzoxepin-5-yl]-N,N-dimethylpropan-1-amine
CID 82251815
3-[(1S)-5-chloro-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 11382036
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
[1-(2,4-difluorophenyl)cyclobutyl]methanol
CID 83686222
4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
CID 69398314
4-(4-chloro-2-fluorophenyl)-4-methylpiperidine
CID 131580444
2-[1-[2-(dimethylamino)ethyl]cyclobutyl]benzamide
CID 67551440
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine (CID 69397295) is 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine is CN(C)CCCCC1(c2ccc(Cl)cc2F)CCC1.
What is the InChIKey of 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
The InChIKey is YRWMHDSUODZXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-19(2)11-4-3-8-16(9-5-10-16)14-7-6-13(17)12-15(14)18/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 69397295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).