2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine

C15H21F2NO — CID 115767735

IUPAC2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CNCCOC2CCCCC2)c1
InChIInChI=1S/C15H21F2NO/c16-13-8-12(9-14(17)10-13)11-18-6-7-19-15-4-2-1-3-5-15/h8-10,15,18H,1-7,11H2
InChIKeyPSWSAZNGUCEXDX-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.40
Rot. Bonds6

About 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine

2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 115767735) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine
PubChem CID115767735
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESFc1cc(F)cc(CNCCOC2CCCCC2)c1
InChIInChI=1S/C15H21F2NO/c16-13-8-12(9-14(17)10-13)11-18-6-7-19-15-4-2-1-3-5-15/h8-10,15,18H,1-7,11H2
InChIKeyPSWSAZNGUCEXDX-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968035
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667
2-cyclohexyloxy-N-[(5-nitrothiophen-3-yl)methyl]ethanamine
CID 62317461
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-cyclopentyloxyethanamine
CID 63825313
4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
CID 63826606
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
3-[(2-cyclopentyloxyethylamino)methyl]-4-fluorobenzonitrile
CID 55261259

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine (CID 115767735) is 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine is Fc1cc(F)cc(CNCCOC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is PSWSAZNGUCEXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-13-8-12(9-14(17)10-13)11-18-6-7-19-15-4-2-1-3-5-15/h8-10,15,18H,1-7,11H2.
What are the key properties of 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine?
2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115767735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).