N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine

C16H24FN — CID 112676916

IUPACN-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCC1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H24FN/c1-2-16(14-10-6-7-11-15(14)17)18-12-13-8-4-3-5-9-13/h6-7,10-11,13,16,18H,2-5,8-9,12H2,1H3
InChIKeyXRHLOQARKCLABO-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.45
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine

N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 112676916) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID112676916
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCC1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H24FN/c1-2-16(14-10-6-7-11-15(14)17)18-12-13-8-4-3-5-9-13/h6-7,10-11,13,16,18H,2-5,8-9,12H2,1H3
InChIKeyXRHLOQARKCLABO-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 112634293
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
(1R)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-1-(2-fluorophenyl)propan-1-amine
CID 99717553
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
N-(cyclopropylmethyl)-1-(2-fluorophenyl)but-3-en-1-amine
CID 115755868
N-(cyclohexylmethyl)-1-(furan-2-yl)propan-1-amine
CID 62633963
1-(2-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 112634306
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032
4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
CID 115994404
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine (CID 112676916) is N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine is CCC(NCC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is XRHLOQARKCLABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-2-16(14-10-6-7-11-15(14)17)18-12-13-8-4-3-5-9-13/h6-7,10-11,13,16,18H,2-5,8-9,12H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine?
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 112676916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).