(1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol

C19H23NO — CID 6510523

IUPAC(1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17/h3-14,16,19,21H,15H2,1-2H3/b12-9+/t16-,19+/m1/s1
InChIKeyYMJMZFPZRVMNCH-ZLXMSIQFSA-N
MW281.40 g/mol
LogP3.75
Rot. Bonds6

About (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol

(1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol (PubChem CID 6510523) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol
PubChem CID6510523
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1
InChIInChI=1S/C19H23NO/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17/h3-14,16,19,21H,15H2,1-2H3/b12-9+/t16-,19+/m1/s1
InChIKeyYMJMZFPZRVMNCH-ZLXMSIQFSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-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

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Ephedrine Hydrochloride
CID 65326
Pseudoephedrine Hydrochloride
CID 9581
Ephedrine Sulfate
CID 5359318
N-Methylephedrine
CID 4374
DL-Ephedrine
CID 5032
Methylephedrine
CID 64782
Glemanserin
CID 71781
Alphamethadol
CID 62709
Pseudoephedrine Sulfate
CID 9802673
N-Methylphenylethanolamine
CID 913

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol (CID 6510523) is (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol is C[C@H]([C@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1.
What is the InChIKey of (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol?
The InChIKey is YMJMZFPZRVMNCH-ZLXMSIQFSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17/h3-14,16,19,21H,15H2,1-2H3/b12-9+/t16-,19+/m1/s1.
What are the key properties of (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol?
(1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 6510523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).