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

C17H19F2NO — CID 103433543

IUPAC2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1c(C(N)Cc2ccc(F)cc2F)ccc(C)c1C
InChIInChI=1S/C17H19F2NO/c1-10-4-7-14(17(21-3)11(10)2)16(20)8-12-5-6-13(18)9-15(12)19/h4-7,9,16H,8,20H2,1-3H3
InChIKeyLDBSYHPKSWHHKJ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.83
Rot. Bonds4

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

2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine (PubChem CID 103433543) 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-3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
PubChem CID103433543
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
SMILESCOc1c(C(N)Cc2ccc(F)cc2F)ccc(C)c1C
InChIInChI=1S/C17H19F2NO/c1-10-4-7-14(17(21-3)11(10)2)16(20)8-12-5-6-13(18)9-15(12)19/h4-7,9,16H,8,20H2,1-3H3
InChIKeyLDBSYHPKSWHHKJ-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-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433437
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(2-methoxy-3,4-dimethylphenyl)-2-(4-methylphenyl)ethanamine
CID 103433454
2-(2,4-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105117230
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680598
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
5-[1-bromo-2-(2,4-difluorophenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83044581
2-(3-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433297
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine (CID 103433543) is 2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine is COc1c(C(N)Cc2ccc(F)cc2F)ccc(C)c1C.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
The InChIKey is LDBSYHPKSWHHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-4-7-14(17(21-3)11(10)2)16(20)8-12-5-6-13(18)9-15(12)19/h4-7,9,16H,8,20H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine?
2-(2,4-difluorophenyl)-1-(2-methoxy-3,4-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-3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 103433543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).