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

C16H17F2NO — CID 106791557

IUPAC2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO/c1-10-3-5-13(16(7-10)20-2)15(19)9-11-8-12(17)4-6-14(11)18/h3-8,15H,9,19H2,1-2H3
InChIKeyBHGXLSACBJBXHT-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.52
Rot. Bonds4

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

2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106791557) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106791557
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO/c1-10-3-5-13(16(7-10)20-2)15(19)9-11-8-12(17)4-6-14(11)18/h3-8,15H,9,19H2,1-2H3
InChIKeyBHGXLSACBJBXHT-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-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791515
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
1-(2-bromo-5-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 81111888
(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791354
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106791557) is 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine is COc1cc(C)ccc1C(N)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is BHGXLSACBJBXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-3-5-13(16(7-10)20-2)15(19)9-11-8-12(17)4-6-14(11)18/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(2,5-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-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106791557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).