3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol

C12H17F2NO2 — CID 103731605

IUPAC3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCOc1cccc(CNCC(O)C(F)F)c1
InChIInChI=1S/C12H17F2NO2/c1-2-17-10-5-3-4-9(6-10)7-15-8-11(16)12(13)14/h3-6,11-12,15-16H,2,7-8H2,1H3
InChIKeyIVXCFJDYTDKERC-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.80
Rot. Bonds7

About 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol

3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731605) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731605
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCOc1cccc(CNCC(O)C(F)F)c1
InChIInChI=1S/C12H17F2NO2/c1-2-17-10-5-3-4-9(6-10)7-15-8-11(16)12(13)14/h3-6,11-12,15-16H,2,7-8H2,1H3
InChIKeyIVXCFJDYTDKERC-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073056
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol (CID 103731605) is 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol is CCOc1cccc(CNCC(O)C(F)F)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is IVXCFJDYTDKERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-17-10-5-3-4-9(6-10)7-15-8-11(16)12(13)14/h3-6,11-12,15-16H,2,7-8H2,1H3.
What are the key properties of 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol?
3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).