2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol

C22H32N2O2 — CID 51125969

IUPAC2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol
SMILESCCCOc1cccc(CNCC(CN(C)C)C(O)c2ccccc2)c1
InChIInChI=1S/C22H32N2O2/c1-4-13-26-21-12-8-9-18(14-21)15-23-16-20(17-24(2)3)22(25)19-10-6-5-7-11-19/h5-12,14,20,22-23,25H,4,13,15-17H2,1-3H3
InChIKeyFRYCJMNGHVWVBR-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.48
Rot. Bonds11

About 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol

2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol (PubChem CID 51125969) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol
PubChem CID51125969
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol
SMILESCCCOc1cccc(CNCC(CN(C)C)C(O)c2ccccc2)c1
InChIInChI=1S/C22H32N2O2/c1-4-13-26-21-12-8-9-18(14-21)15-23-16-20(17-24(2)3)22(25)19-10-6-5-7-11-19/h5-12,14,20,22-23,25H,4,13,15-17H2,1-3H3
InChIKeyFRYCJMNGHVWVBR-UHFFFAOYSA-N
XLogP3.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-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

(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358849
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
CID 11301457
1-(1-bromo-2-phenylethyl)-3-propoxybenzene
CID 63529881

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol (CID 51125969) is 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol is CCCOc1cccc(CNCC(CN(C)C)C(O)c2ccccc2)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol?
The InChIKey is FRYCJMNGHVWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-4-13-26-21-12-8-9-18(14-21)15-23-16-20(17-24(2)3)22(25)19-10-6-5-7-11-19/h5-12,14,20,22-23,25H,4,13,15-17H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol?
2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol has a molecular weight of 356.51 g/mol, XLogP of 3.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-phenyl-3-[(3-propoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 51125969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).