N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine

C15H21ClFN — CID 107993397

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H21ClFN/c1-2-8-18-15(9-11-4-3-5-11)12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,2-5,8-9H2,1H3
InChIKeyQYXTUWCWYODAOC-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.71
Rot. Bonds6

About N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine

N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine (PubChem CID 107993397) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
PubChem CID107993397
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H21ClFN/c1-2-8-18-15(9-11-4-3-5-11)12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,2-5,8-9H2,1H3
InChIKeyQYXTUWCWYODAOC-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
CID 115847441
N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107993179
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105151653
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine (CID 107993397) is N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine is CCCNC(CC1CCC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
The InChIKey is QYXTUWCWYODAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-8-18-15(9-11-4-3-5-11)12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,2-5,8-9H2,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine is sourced from PubChem (CID 107993397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).