2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine

C16H17F2NO — CID 106791515

IUPAC2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-10-3-4-14(16(5-10)20-2)15(19)8-11-6-12(17)9-13(18)7-11/h3-7,9,15H,8,19H2,1-2H3
InChIKeyMZQWZGNTJUBFPN-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine

2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106791515) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106791515
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-10-3-4-14(16(5-10)20-2)15(19)8-11-6-12(17)9-13(18)7-11/h3-7,9,15H,8,19H2,1-2H3
InChIKeyMZQWZGNTJUBFPN-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
2-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791252
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
1-(2-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 106791601
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 79700846
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106791515) is 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine is COc1cc(C)ccc1C(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is MZQWZGNTJUBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-3-4-14(16(5-10)20-2)15(19)8-11-6-12(17)9-13(18)7-11/h3-7,9,15H,8,19H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106791515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).