N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine

C17H26FN — CID 55186438

IUPACN-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1ccccc1F
InChIInChI=1S/C17H26FN/c1-2-12-19-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3
InChIKeyTXZJMSCDJHBZBP-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.84
Rot. Bonds6

About N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine

N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 55186438) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID55186438
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1ccccc1F
InChIInChI=1S/C17H26FN/c1-2-12-19-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3
InChIKeyTXZJMSCDJHBZBP-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-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine (CID 55186438) is N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine is CCCNC(CC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is TXZJMSCDJHBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-12-19-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine?
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]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-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 55186438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).