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

C17H26FN — CID 112676958

IUPACN-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCCC1CCCCC1)c1ccccc1F
InChIInChI=1S/C17H26FN/c1-2-17(15-10-6-7-11-16(15)18)19-13-12-14-8-4-3-5-9-14/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3
InChIKeyZFRXGAHFHLDDMH-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.84
Rot. Bonds6

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

N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 112676958) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID112676958
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NCCC1CCCCC1)c1ccccc1F
InChIInChI=1S/C17H26FN/c1-2-17(15-10-6-7-11-16(15)18)19-13-12-14-8-4-3-5-9-14/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3
InChIKeyZFRXGAHFHLDDMH-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 106169208
1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 112634293
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine (CID 112676958) is N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine is CCC(NCCC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is ZFRXGAHFHLDDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-17(15-10-6-7-11-16(15)18)19-13-12-14-8-4-3-5-9-14/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine?
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 112676958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).