1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine

C12H17F2NO — CID 62604659

IUPAC1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1cccc(F)c1F
InChIInChI=1S/C12H17F2NO/c1-3-15-10(8-16-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyWYMBVACHXWBXTD-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.13
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine

1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 62604659) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
PubChem CID62604659
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1cccc(F)c1F
InChIInChI=1S/C12H17F2NO/c1-3-15-10(8-16-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyWYMBVACHXWBXTD-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
1-(2,3-difluorophenyl)-N-ethyl-5-methoxyhexan-2-amine
CID 105137719
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 114855390
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine (CID 62604659) is 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is WYMBVACHXWBXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-15-10(8-16-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine?
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 62604659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).