(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol

C19H24FNO2 — CID 93164345

IUPAC(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
SMILESCC(C)N(Cc1ccccc1F)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C19H24FNO2/c1-15(2)21(12-16-8-6-7-11-19(16)20)13-17(22)14-23-18-9-4-3-5-10-18/h3-11,15,17,22H,12-14H2,1-2H3/t17-/m1/s1
InChIKeyARBMSFGVULMJTE-QGZVFWFLSA-N
MW317.40 g/mol
LogP3.48
Rot. Bonds8

About (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol

(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol (PubChem CID 93164345) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
PubChem CID93164345
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
SMILESCC(C)N(Cc1ccccc1F)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C19H24FNO2/c1-15(2)21(12-16-8-6-7-11-19(16)20)13-17(22)14-23-18-9-4-3-5-10-18/h3-11,15,17,22H,12-14H2,1-2H3/t17-/m1/s1
InChIKeyARBMSFGVULMJTE-QGZVFWFLSA-N
XLogP3.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-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-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 42682400
(2R)-1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenoxypropan-2-ol
CID 93147109
(2S)-1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]propan-2-ol
CID 93147028
4-[3-[(2-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 51160367
(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93147393
1-[1,3-benzodioxol-5-ylmethyl-[(2-fluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 42682349
(2S)-1-(4-chlorophenoxy)-3-[(2,5-dimethylphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93147397
(2S)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 93164988
(2S)-1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93162109
1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 46026518
(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
CID 93164993

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol (CID 93164345) is (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol is CC(C)N(Cc1ccccc1F)C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
The InChIKey is ARBMSFGVULMJTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-15(2)21(12-16-8-6-7-11-19(16)20)13-17(22)14-23-18-9-4-3-5-10-18/h3-11,15,17,22H,12-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol?
(2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol has a molecular weight of 317.40 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93164345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).