(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

C16H24FN — CID 81369388

IUPAC(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CN[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN/c1-12-6-8-14(9-7-12)11-18-13(2)15-4-3-5-16(17)10-15/h3-5,10,12-14,18H,6-9,11H2,1-2H3/t12?,13-,14?/m1/s1
InChIKeyKXVOANZKMVGSSO-ROKHWSDSSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 81369388) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID81369388
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CN[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN/c1-12-6-8-14(9-7-12)11-18-13(2)15-4-3-5-16(17)10-15/h3-5,10,12-14,18H,6-9,11H2,1-2H3/t12?,13-,14?/m1/s1
InChIKeyKXVOANZKMVGSSO-ROKHWSDSSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81368625
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 81369388) is (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CN[C@H](C)c2cccc(F)c2)CC1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is KXVOANZKMVGSSO-ROKHWSDSSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-6-8-14(9-7-12)11-18-13(2)15-4-3-5-16(17)10-15/h3-5,10,12-14,18H,6-9,11H2,1-2H3/t12?,13-,14?/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 81369388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).