1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine

C15H21ClFN — CID 114192287

IUPAC1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
SMILESNC(CCC1CCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H21ClFN/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9,18H2
InChIKeyCZIAOMIJGVEUAN-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.84
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine

1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine (PubChem CID 114192287) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
PubChem CID114192287
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
SMILESNC(CCC1CCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H21ClFN/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9,18H2
InChIKeyCZIAOMIJGVEUAN-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(5-chloro-2-fluorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105280162
1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
CID 103052907
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561214
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine
CID 104995027
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine (CID 114192287) is 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine is NC(CCC1CCCCC1)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine?
The InChIKey is CZIAOMIJGVEUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9,18H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine?
1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine is sourced from PubChem (CID 114192287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).