1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol

C22H31NO2 — CID 42682310

IUPAC1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCCN(Cc1ccc(C)cc1C)CC(O)COc1ccccc1C
InChIInChI=1S/C22H31NO2/c1-5-12-23(14-20-11-10-17(2)13-19(20)4)15-21(24)16-25-22-9-7-6-8-18(22)3/h6-11,13,21,24H,5,12,14-16H2,1-4H3
InChIKeyMOWCCCVBRGQBCM-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.26
Rot. Bonds9

About 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol

1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 42682310) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID42682310
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCCN(Cc1ccc(C)cc1C)CC(O)COc1ccccc1C
InChIInChI=1S/C22H31NO2/c1-5-12-23(14-20-11-10-17(2)13-19(20)4)15-21(24)16-25-22-9-7-6-8-18(22)3/h6-11,13,21,24H,5,12,14-16H2,1-4H3
InChIKeyMOWCCCVBRGQBCM-UHFFFAOYSA-N
XLogP4.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-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

(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 42682221
(2R)-1-[(2,4-dimethylphenyl)methyl-propylamino]-3-prop-2-ynoxypropan-2-ol
CID 93163210
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 78782947
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
1-[benzyl(2-hydroxyethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 2770333
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol (CID 42682310) is 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol is CCCN(Cc1ccc(C)cc1C)CC(O)COc1ccccc1C.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is MOWCCCVBRGQBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-5-12-23(14-20-11-10-17(2)13-19(20)4)15-21(24)16-25-22-9-7-6-8-18(22)3/h6-11,13,21,24H,5,12,14-16H2,1-4H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 341.50 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 42682310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).