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

C16H24FN — CID 81365167

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(F)c2)CC1C
InChIInChI=1S/C16H24FN/c1-11-7-8-16(9-12(11)2)18-13(3)14-5-4-6-15(17)10-14/h4-6,10-13,16,18H,7-9H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyPXAPWAWNQNSVAE-KSISSFPLSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds3

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

N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 81365167) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID81365167
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(F)c2)CC1C
InChIInChI=1S/C16H24FN/c1-11-7-8-16(9-12(11)2)18-13(3)14-5-4-6-15(17)10-14/h4-6,10-13,16,18H,7-9H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyPXAPWAWNQNSVAE-KSISSFPLSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81368625
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
CID 81365028
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64739909

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine (CID 81365167) is N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(N[C@@H](C)c2cccc(F)c2)CC1C.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is PXAPWAWNQNSVAE-KSISSFPLSA-N. The full InChI is InChI=1S/C16H24FN/c1-11-7-8-16(9-12(11)2)18-13(3)14-5-4-6-15(17)10-14/h4-6,10-13,16,18H,7-9H2,1-3H3/t11?,12?,13-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine?
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81365167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).