1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol

C19H23F2NO2 — CID 42682400

IUPAC1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
SMILESCC(C)N(Cc1ccc(F)cc1F)CC(O)COc1ccccc1
InChIInChI=1S/C19H23F2NO2/c1-14(2)22(11-15-8-9-16(20)10-19(15)21)12-17(23)13-24-18-6-4-3-5-7-18/h3-10,14,17,23H,11-13H2,1-2H3
InChIKeyVZJWFZPHQBAZAY-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.62
Rot. Bonds8

About 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol

1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol (PubChem CID 42682400) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
PubChem CID42682400
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Name1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
SMILESCC(C)N(Cc1ccc(F)cc1F)CC(O)COc1ccccc1
InChIInChI=1S/C19H23F2NO2/c1-14(2)22(11-15-8-9-16(20)10-19(15)21)12-17(23)13-24-18-6-4-3-5-7-18/h3-10,14,17,23H,11-13H2,1-2H3
InChIKeyVZJWFZPHQBAZAY-UHFFFAOYSA-N
XLogP3.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 93164345
(2R)-1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93164801
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793
(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93162660
1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol
CID 109415416
(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007941
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46007913
(2S)-1-(4-chlorophenoxy)-3-[(2,5-dimethylphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93147397
1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 46026518
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol (CID 42682400) is 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol is CC(C)N(Cc1ccc(F)cc1F)CC(O)COc1ccccc1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
The InChIKey is VZJWFZPHQBAZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2/c1-14(2)22(11-15-8-9-16(20)10-19(15)21)12-17(23)13-24-18-6-4-3-5-7-18/h3-10,14,17,23H,11-13H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol has a molecular weight of 335.39 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 42682400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).