1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol

C13H21NO2 — CID 139704812

IUPAC1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol
SMILESCCC(O)Nc1ccc(C)cc1C(O)CC
InChIInChI=1S/C13H21NO2/c1-4-12(15)10-8-9(3)6-7-11(10)14-13(16)5-2/h6-8,12-16H,4-5H2,1-3H3
InChIKeyFMNZJKCAUFEKDA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.58
Rot. Bonds5

About 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol

1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol (PubChem CID 139704812) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol
PubChem CID139704812
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol
SMILESCCC(O)Nc1ccc(C)cc1C(O)CC
InChIInChI=1S/C13H21NO2/c1-4-12(15)10-8-9(3)6-7-11(10)14-13(16)5-2/h6-8,12-16H,4-5H2,1-3H3
InChIKeyFMNZJKCAUFEKDA-UHFFFAOYSA-N
XLogP2.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-methylphenyl)propan-1-ol
CID 83988244
1-(2,3,4-trifluoroanilino)propan-1-ol
CID 151840381
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
1-(2-amino-5-methylphenyl)butan-1-ol
CID 112541135
N-butan-2-yl-2-chloro-4-methylaniline
CID 43122565
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol?
The IUPAC name of 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol (CID 139704812) is 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol?
The canonical SMILES for 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol is CCC(O)Nc1ccc(C)cc1C(O)CC.
What is the InChIKey of 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol?
The InChIKey is FMNZJKCAUFEKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-12(15)10-8-9(3)6-7-11(10)14-13(16)5-2/h6-8,12-16H,4-5H2,1-3H3.
What are the key properties of 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol?
1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxypropylamino)-5-methylphenyl]propan-1-ol is sourced from PubChem (CID 139704812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).