N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine

C16H24FN — CID 81350839

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-12(13-6-8-14(17)9-7-13)18-15-5-4-10-16(2,3)11-15/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15?/m1/s1
InChIKeyKYEMSGLZCLQHCF-KEKZHRQWSA-N
MW249.37 g/mol
LogP4.45
Rot. Bonds3

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 81350839) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID81350839
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-12(13-6-8-14(17)9-7-13)18-15-5-4-10-16(2,3)11-15/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15?/m1/s1
InChIKeyKYEMSGLZCLQHCF-KEKZHRQWSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998614
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961009
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103922095
N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43078690
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81348055
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895662
N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978837
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
N-[(1S)-1-(4-bromophenyl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 81354248
3,3-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398337
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine (CID 81350839) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine is C[C@@H](NC1CCCC(C)(C)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is KYEMSGLZCLQHCF-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(13-6-8-14(17)9-7-13)18-15-5-4-10-16(2,3)11-15/h6-9,12,15,18H,4-5,10-11H2,1-3H3/t12-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81350839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).