2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

C17H19F2NO — CID 106680598

IUPAC2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCOc1cc(C)cc(C)c1C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-10-6-11(2)17(16(7-10)21-3)15(20)8-12-4-5-13(18)9-14(12)19/h4-7,9,15H,8,20H2,1-3H3
InChIKeyKGJZEAPMKQBCRT-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.83
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (PubChem CID 106680598) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
PubChem CID106680598
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCOc1cc(C)cc(C)c1C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-10-6-11(2)17(16(7-10)21-3)15(20)8-12-4-5-13(18)9-14(12)19/h4-7,9,15H,8,20H2,1-3H3
InChIKeyKGJZEAPMKQBCRT-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682264
2-(2-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433543
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (CID 106680598) is 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is COc1cc(C)cc(C)c1C(N)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The InChIKey is KGJZEAPMKQBCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-6-11(2)17(16(7-10)21-3)15(20)8-12-4-5-13(18)9-14(12)19/h4-7,9,15H,8,20H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106680598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).