1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol

C14H23NO2 — CID 82313434

IUPAC1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCCCO)c(C)c1
InChIInChI=1S/C14H23NO2/c1-10-5-6-13(11(2)9-10)14(17)12(3)15-7-4-8-16/h5-6,9,12,14-17H,4,7-8H2,1-3H3
InChIKeyHRQNAAIWYOLIIW-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.70
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol

1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol (PubChem CID 82313434) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
PubChem CID82313434
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCCCO)c(C)c1
InChIInChI=1S/C14H23NO2/c1-10-5-6-13(11(2)9-10)14(17)12(3)15-7-4-8-16/h5-6,9,12,14-17H,4,7-8H2,1-3H3
InChIKeyHRQNAAIWYOLIIW-UHFFFAOYSA-N
XLogP1.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82313439
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 82313534
4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 82315545
1-(2,4-dimethylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
CID 82313512
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394
2-[1-(5-hydroxypentylamino)ethyl]-5-methylphenol
CID 107303108
(1R,2S)-1-(2,4-dimethylphenyl)-2-nitropropan-1-ol
CID 101455721

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol (CID 82313434) is 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol is Cc1ccc(C(O)C(C)NCCCO)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol?
The InChIKey is HRQNAAIWYOLIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-5-6-13(11(2)9-10)14(17)12(3)15-7-4-8-16/h5-6,9,12,14-17H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol?
1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol is sourced from PubChem (CID 82313434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).