1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol

C24H27NO2 — CID 2916434

IUPAC1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H27NO2/c1-20-9-8-14-24(15-20)27-19-23(26)18-25(16-21-10-4-2-5-11-21)17-22-12-6-3-7-13-22/h2-15,23,26H,16-19H2,1H3
InChIKeyPFYXKGWRNAYAQO-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.44
Rot. Bonds9

About 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol

1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 2916434) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
PubChem CID2916434
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H27NO2/c1-20-9-8-14-24(15-20)27-19-23(26)18-25(16-21-10-4-2-5-11-21)17-22-12-6-3-7-13-22/h2-15,23,26H,16-19H2,1H3
InChIKeyPFYXKGWRNAYAQO-UHFFFAOYSA-N
XLogP4.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(dibenzylamino)-3-(3-methylphenoxy)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

Related Compounds

1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1368771
1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[butan-2-yl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717307

Frequently Asked Questions

What is the IUPAC name of 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol (CID 2916434) is 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is PFYXKGWRNAYAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-20-9-8-14-24(15-20)27-19-23(26)18-25(16-21-10-4-2-5-11-21)17-22-12-6-3-7-13-22/h2-15,23,26H,16-19H2,1H3.
What are the key properties of 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol?
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 361.49 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2916434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).