N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine

C16H24FN — CID 81365854

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2cccc(F)c2)C1C
InChIInChI=1S/C16H24FN/c1-11-6-4-9-16(12(11)2)18-13(3)14-7-5-8-15(17)10-14/h5,7-8,10-13,16,18H,4,6,9H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyKSHHEKMJQJBHEK-KSISSFPLSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds3

About N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine

N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 81365854) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID81365854
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N[C@@H](C)c2cccc(F)c2)C1C
InChIInChI=1S/C16H24FN/c1-11-6-4-9-16(12(11)2)18-13(3)14-7-5-8-15(17)10-14/h5,7-8,10-13,16,18H,4,6,9H2,1-3H3/t11?,12?,13-,16?/m0/s1
InChIKeyKSHHEKMJQJBHEK-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-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 43101467
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine (CID 81365854) is N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(N[C@@H](C)c2cccc(F)c2)C1C.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is KSHHEKMJQJBHEK-KSISSFPLSA-N. The full InChI is InChI=1S/C16H24FN/c1-11-6-4-9-16(12(11)2)18-13(3)14-7-5-8-15(17)10-14/h5,7-8,10-13,16,18H,4,6,9H2,1-3H3/t11?,12?,13-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine?
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-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]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81365854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).