(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine

C16H24FN — CID 81384987

IUPAC(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCc1cc(CN[C@H](C)C2CCCCC2)ccc1F
InChIInChI=1S/C16H24FN/c1-12-10-14(8-9-16(12)17)11-18-13(2)15-6-4-3-5-7-15/h8-10,13,15,18H,3-7,11H2,1-2H3/t13-/m1/s1
InChIKeyAKLSUZXEQJPVAG-CYBMUJFWSA-N
MW249.37 g/mol
LogP4.19
Rot. Bonds4

About (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 81384987) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID81384987
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCc1cc(CN[C@H](C)C2CCCCC2)ccc1F
InChIInChI=1S/C16H24FN/c1-12-10-14(8-9-16(12)17)11-18-13(2)15-6-4-3-5-7-15/h8-10,13,15,18H,3-7,11H2,1-2H3/t13-/m1/s1
InChIKeyAKLSUZXEQJPVAG-CYBMUJFWSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700240
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine (CID 81384987) is (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine is Cc1cc(CN[C@H](C)C2CCCCC2)ccc1F.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is AKLSUZXEQJPVAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-10-14(8-9-16(12)17)11-18-13(2)15-6-4-3-5-7-15/h8-10,13,15,18H,3-7,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81384987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).