1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine

C13H19F2NO — CID 107513225

IUPAC1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNC(CCOC)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H19F2NO/c1-4-16-11(7-8-17-3)10-6-5-9(2)12(14)13(10)15/h5-6,11,16H,4,7-8H2,1-3H3
InChIKeyMSNMBVASWPTQHK-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine

1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 107513225) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
PubChem CID107513225
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNC(CCOC)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H19F2NO/c1-4-16-11(7-8-17-3)10-6-5-9(2)12(14)13(10)15/h5-6,11,16H,4,7-8H2,1-3H3
InChIKeyMSNMBVASWPTQHK-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-N-ethyloctan-1-amine
CID 107515605
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 107513135
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 106646214
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 103149624
3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine
CID 107514261
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine
CID 107516740
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 55152994

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine (CID 107513225) is 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine is CCNC(CCOC)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is MSNMBVASWPTQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-16-11(7-8-17-3)10-6-5-9(2)12(14)13(10)15/h5-6,11,16H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine?
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 107513225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).