2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine

C14H19ClFN — CID 114012687

IUPAC2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
SMILESNC(Cc1ccc(Cl)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c15-12-7-6-10(8-13(12)16)9-14(17)11-4-2-1-3-5-11/h6-8,11,14H,1-5,9,17H2
InChIKeyBGDQXNXCUXWCCU-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.93
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine

2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine (PubChem CID 114012687) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
PubChem CID114012687
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
SMILESNC(Cc1ccc(Cl)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H19ClFN/c15-12-7-6-10(8-13(12)16)9-14(17)11-4-2-1-3-5-11/h6-8,11,14H,1-5,9,17H2
InChIKeyBGDQXNXCUXWCCU-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
CID 107897043
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970
2-(4-chloro-3-fluorophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 107884977

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine (CID 114012687) is 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine is NC(Cc1ccc(Cl)c(F)c1)C1CCCCC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine?
The InChIKey is BGDQXNXCUXWCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c15-12-7-6-10(8-13(12)16)9-14(17)11-4-2-1-3-5-11/h6-8,11,14H,1-5,9,17H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine?
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine has a molecular weight of 255.76 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine is sourced from PubChem (CID 114012687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).