N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine

C16H21F4N — CID 64753673

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(Cc1ccc(F)cc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H21F4N/c1-11(10-12-2-6-14(17)7-3-12)21-15-8-4-13(5-9-15)16(18,19)20/h2-3,6-7,11,13,15,21H,4-5,8-10H2,1H3
InChIKeyWOJWTZQXKHSPNG-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753673) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753673
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(Cc1ccc(F)cc1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H21F4N/c1-11(10-12-2-6-14(17)7-3-12)21-15-8-4-13(5-9-15)16(18,19)20/h2-3,6-7,11,13,15,21H,4-5,8-10H2,1H3
InChIKeyWOJWTZQXKHSPNG-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
CID 103787278
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
tert-butyl N-[3-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentyl]carbamate
CID 113247851

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753673) is N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(Cc1ccc(F)cc1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WOJWTZQXKHSPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-11(10-12-2-6-14(17)7-3-12)21-15-8-4-13(5-9-15)16(18,19)20/h2-3,6-7,11,13,15,21H,4-5,8-10H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 303.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).