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

C16H17F2NO — CID 62315705

IUPAC2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-20-16-4-2-3-13(9-16)11-19-6-5-12-7-14(17)10-15(18)8-12/h2-4,7-10,19H,5-6,11H2,1H3
InChIKeyOQQYLDAMHVVCOM-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.31
Rot. Bonds6

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

2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 62315705) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID62315705
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-20-16-4-2-3-13(9-16)11-19-6-5-12-7-14(17)10-15(18)8-12/h2-4,7-10,19H,5-6,11H2,1H3
InChIKeyOQQYLDAMHVVCOM-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.31
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

3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 104878638
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 105402373
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 62315705) is 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNCCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is OQQYLDAMHVVCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-20-16-4-2-3-13(9-16)11-19-6-5-12-7-14(17)10-15(18)8-12/h2-4,7-10,19H,5-6,11H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62315705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).