2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

C17H19F2NO — CID 106682264

IUPAC2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCOc1cc(C)cc(C)c1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-10-7-11(2)16(15(8-10)21-3)14(20)9-12-5-4-6-13(18)17(12)19/h4-8,14H,9,20H2,1-3H3
InChIKeyUXYVFUVQWRQSBH-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.83
Rot. Bonds4

About 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (PubChem CID 106682264) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
PubChem CID106682264
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCOc1cc(C)cc(C)c1C(N)Cc1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-10-7-11(2)16(15(8-10)21-3)14(20)9-12-5-4-6-13(18)17(12)19/h4-8,14H,9,20H2,1-3H3
InChIKeyUXYVFUVQWRQSBH-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-fluoro-3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 105035571
2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680598
2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
2-(2,3-difluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279328
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (CID 106682264) is 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is COc1cc(C)cc(C)c1C(N)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The InChIKey is UXYVFUVQWRQSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-7-11(2)16(15(8-10)21-3)14(20)9-12-5-4-6-13(18)17(12)19/h4-8,14H,9,20H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
2-(2,3-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-(2,3-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106682264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).