(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine

C15H21F2N — CID 105403256

IUPAC(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C15H21F2N/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3/t11-/m0/s1
InChIKeyDXTCVMLQHLRZIA-NSHDSACASA-N
MW253.34 g/mol
LogP4.02
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 105403256) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
PubChem CID105403256
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(F)cc(F)c1)C1CCCCC1
InChIInChI=1S/C15H21F2N/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3/t11-/m0/s1
InChIKeyDXTCVMLQHLRZIA-NSHDSACASA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
CID 79710185
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine (CID 105403256) is (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine is C[C@H](NCc1cc(F)cc(F)c1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is DXTCVMLQHLRZIA-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 105403256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).