1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

C17H19F2NO — CID 43491085

IUPAC1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-3-20-17(15-9-6-13(18)11-16(15)19)10-12-4-7-14(21-2)8-5-12/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyDNXNQWVQSXVDNG-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.87
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine

1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (PubChem CID 43491085) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
PubChem CID43491085
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-3-20-17(15-9-6-13(18)11-16(15)19)10-12-4-7-14(21-2)8-5-12/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyDNXNQWVQSXVDNG-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61065176
4-[2-(ethylamino)-2-(2-fluoro-4-methoxyphenyl)ethyl]phenol
CID 81301341
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43562110
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 79726305
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
CID 65234652

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (CID 43491085) is 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
The InChIKey is DNXNQWVQSXVDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-20-17(15-9-6-13(18)11-16(15)19)10-12-4-7-14(21-2)8-5-12/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine?
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43491085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).