(1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol

C17H22N2O2 — CID 24897264

IUPAC(1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
SMILESCOc1ccc([C@@H]([C@H](O)CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3/t16-,17+/m1/s1
InChIKeyIZYQNPOIOLPIRC-SJORKVTESA-N
MW286.38 g/mol
LogP2.19
Rot. Bonds6

About (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol

(1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol (PubChem CID 24897264) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
PubChem CID24897264
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
SMILESCOc1ccc([C@@H]([C@H](O)CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3/t16-,17+/m1/s1
InChIKeyIZYQNPOIOLPIRC-SJORKVTESA-N
XLogP2.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-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

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
The IUPAC name of (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol (CID 24897264) is (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol.
What is the SMILES notation for (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
The canonical SMILES for (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol is COc1ccc([C@@H]([C@H](O)CN)N(C)c2ccccc2)cc1.
What is the InChIKey of (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
The InChIKey is IZYQNPOIOLPIRC-SJORKVTESA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol?
(1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol is sourced from PubChem (CID 24897264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).