N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine

C18H28FN — CID 82932645

IUPACN-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C18H28FN/c1-14(2)12-20-13-18(15-7-4-3-5-8-15)16-9-6-10-17(19)11-16/h6,9-11,14-15,18,20H,3-5,7-8,12-13H2,1-2H3
InChIKeyKCUSXNGQIFCAGB-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.74
Rot. Bonds6

About N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine

N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 82932645) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
PubChem CID82932645
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C18H28FN/c1-14(2)12-20-13-18(15-7-4-3-5-8-15)16-9-6-10-17(19)11-16/h6,9-11,14-15,18,20H,3-5,7-8,12-13H2,1-2H3
InChIKeyKCUSXNGQIFCAGB-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 79436985
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
CID 82083463
N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine
CID 82937102
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine (CID 82932645) is N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine is CC(C)CNCC(c1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is KCUSXNGQIFCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-14(2)12-20-13-18(15-7-4-3-5-8-15)16-9-6-10-17(19)11-16/h6,9-11,14-15,18,20H,3-5,7-8,12-13H2,1-2H3.
What are the key properties of N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine?
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82932645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).