1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol

C18H21F2NO2 — CID 110887860

IUPAC1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol
SMILESCC(NCC(O)Cc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C18H21F2NO2/c1-13(16-9-5-6-10-17(16)23-18(19)20)21-12-15(22)11-14-7-3-2-4-8-14/h2-10,13,15,18,21-22H,11-12H2,1H3
InChIKeyWWPZYHXODDVVQA-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.54
Rot. Bonds8

About 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol

1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol (PubChem CID 110887860) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol
PubChem CID110887860
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC Name1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol
SMILESCC(NCC(O)Cc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C18H21F2NO2/c1-13(16-9-5-6-10-17(16)23-18(19)20)21-12-15(22)11-14-7-3-2-4-8-14/h2-10,13,15,18,21-22H,11-12H2,1H3
InChIKeyWWPZYHXODDVVQA-UHFFFAOYSA-N
XLogP3.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43106895
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 106840787
[1-[[1-[2-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopropyl]methanol
CID 81344008
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
1-(pentan-2-ylamino)-3-phenylpropan-2-ol
CID 110884310
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81387448

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol (CID 110887860) is 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol is CC(NCC(O)Cc1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol?
The InChIKey is WWPZYHXODDVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-13(16-9-5-6-10-17(16)23-18(19)20)21-12-15(22)11-14-7-3-2-4-8-14/h2-10,13,15,18,21-22H,11-12H2,1H3.
What are the key properties of 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol?
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol has a molecular weight of 321.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 110887860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).