N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine

C19H30FN — CID 63448264

IUPACN-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(NCCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H30FN/c1-2-3-9-19(17-10-12-18(20)13-11-17)21-15-14-16-7-5-4-6-8-16/h10-13,16,19,21H,2-9,14-15H2,1H3
InChIKeyMZIROVXARWMMKO-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.62
Rot. Bonds8

About N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine

N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine (PubChem CID 63448264) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
PubChem CID63448264
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(NCCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H30FN/c1-2-3-9-19(17-10-12-18(20)13-11-17)21-15-14-16-7-5-4-6-8-16/h10-13,16,19,21H,2-9,14-15H2,1H3
InChIKeyMZIROVXARWMMKO-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
2-[1-(4-fluorophenyl)pentylamino]cyclohexan-1-ol
CID 62365971
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine
CID 60856525
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine (CID 63448264) is N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine is CCCCC(NCCC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine?
The InChIKey is MZIROVXARWMMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-2-3-9-19(17-10-12-18(20)13-11-17)21-15-14-16-7-5-4-6-8-16/h10-13,16,19,21H,2-9,14-15H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine?
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 63448264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).