1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine

C17H19F2NO — CID 116773143

IUPAC1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
SMILESCCNC(c1ccc(F)c(F)c1)C(OC)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-3-20-16(13-9-10-14(18)15(19)11-13)17(21-2)12-7-5-4-6-8-12/h4-11,16-17,20H,3H2,1-2H3
InChIKeyHXALJPNSWCTBNK-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.00
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine

1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine (PubChem CID 116773143) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
PubChem CID116773143
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
SMILESCCNC(c1ccc(F)c(F)c1)C(OC)c1ccccc1
InChIInChI=1S/C17H19F2NO/c1-3-20-16(13-9-10-14(18)15(19)11-13)17(21-2)12-7-5-4-6-8-12/h4-11,16-17,20H,3H2,1-2H3
InChIKeyHXALJPNSWCTBNK-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
[1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethyl]hydrazine
CID 105279283
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725875
1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203
N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
CID 116773182
N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 116773141
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine (CID 116773143) is 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine is CCNC(c1ccc(F)c(F)c1)C(OC)c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine?
The InChIKey is HXALJPNSWCTBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-20-16(13-9-10-14(18)15(19)11-13)17(21-2)12-7-5-4-6-8-12/h4-11,16-17,20H,3H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine?
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.00, 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-ethyl-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 116773143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).