1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine

C17H19F2NO — CID 43221588

IUPAC1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccccc1CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-21-17-7-5-4-6-14(17)11-20-12(2)13-8-9-15(18)16(19)10-13/h4-10,12,20H,3,11H2,1-2H3
InChIKeyOLKOOULXECDFIZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.21
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine

1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine (PubChem CID 43221588) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
PubChem CID43221588
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccccc1CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-21-17-7-5-4-6-14(17)11-20-12(2)13-8-9-15(18)16(19)10-13/h4-10,12,20H,3,11H2,1-2H3
InChIKeyOLKOOULXECDFIZ-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol
CID 136571867
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
2-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81347276
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82884552
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 61016209

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine (CID 43221588) is 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine is CCOc1ccccc1CNC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
The InChIKey is OLKOOULXECDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-21-17-7-5-4-6-14(17)11-20-12(2)13-8-9-15(18)16(19)10-13/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43221588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).