(3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol

C20H25NO3 — CID 111449901

IUPAC(3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1cc(CN[C@H](CCO)c2ccccc2)c2c(c1)CC(C)O2
InChIInChI=1S/C20H25NO3/c1-14-10-16-11-18(23-2)12-17(20(16)24-14)13-21-19(8-9-22)15-6-4-3-5-7-15/h3-7,11-12,14,19,21-22H,8-10,13H2,1-2H3/t14?,19-/m1/s1
InChIKeyGIHHHECSJRBOOA-JANGERMGSA-N
MW327.42 g/mol
LogP3.23
Rot. Bonds7

About (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol

(3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 111449901) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID111449901
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol
SMILESCOc1cc(CN[C@H](CCO)c2ccccc2)c2c(c1)CC(C)O2
InChIInChI=1S/C20H25NO3/c1-14-10-16-11-18(23-2)12-17(20(16)24-14)13-21-19(8-9-22)15-6-4-3-5-7-15/h3-7,11-12,14,19,21-22H,8-10,13H2,1-2H3/t14?,19-/m1/s1
InChIKeyGIHHHECSJRBOOA-JANGERMGSA-N
XLogP3.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol (CID 111449901) is (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol is COc1cc(CN[C@H](CCO)c2ccccc2)c2c(c1)CC(C)O2.
What is the InChIKey of (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is GIHHHECSJRBOOA-JANGERMGSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-10-16-11-18(23-2)12-17(20(16)24-14)13-21-19(8-9-22)15-6-4-3-5-7-15/h3-7,11-12,14,19,21-22H,8-10,13H2,1-2H3/t14?,19-/m1/s1.
What are the key properties of (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 327.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111449901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).