2-[(2-methylphenoxy)amino]propan-1-ol

C10H15NO2 — CID 144867674

IUPAC2-[(2-methylphenoxy)amino]propan-1-ol
SMILESCc1ccccc1ONC(C)CO
InChIInChI=1S/C10H15NO2/c1-8-5-3-4-6-10(8)13-11-9(2)7-12/h3-6,9,11-12H,7H2,1-2H3
InChIKeyLDNRRHSOTNUASY-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds4

About 2-[(2-methylphenoxy)amino]propan-1-ol

2-[(2-methylphenoxy)amino]propan-1-ol (PubChem CID 144867674) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-methylphenoxy)amino]propan-1-ol
PubChem CID144867674
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-[(2-methylphenoxy)amino]propan-1-ol
SMILESCc1ccccc1ONC(C)CO
InChIInChI=1S/C10H15NO2/c1-8-5-3-4-6-10(8)13-11-9(2)7-12/h3-6,9,11-12H,7H2,1-2H3
InChIKeyLDNRRHSOTNUASY-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tyrosinol
CID 151247
2-(2-Aminopropyl)phenol
CID 541960
P-Hydroxynorephedrine
CID 6931143
(1,1'-Biphenyl)-2-ol, compound with 2-aminoethanol (1:1)
CID 44144902
4-((2S)-2-amino-3-hydroxypropyl)phenol hydrochloride
CID 16213127
4-Hydroxynorephedrine
CID 6931150
4-(2-Amino-1-hydroxypropyl)phenol
CID 11099
2-Octopamine
CID 122286
2-(2-Amino-1-hydroxypropyl)phenol--hydrogen chloride (1/1)
CID 48892
D-Tyrosinol hydrochloride
CID 16213128
Phenol, methyl-, compd. with 2-aminoethanol (1:1)
CID 171871
4-(2-Amino-3-hydroxypropyl)phenol
CID 548190

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)amino]propan-1-ol?
The IUPAC name of 2-[(2-methylphenoxy)amino]propan-1-ol (CID 144867674) is 2-[(2-methylphenoxy)amino]propan-1-ol.
What is the SMILES notation for 2-[(2-methylphenoxy)amino]propan-1-ol?
The canonical SMILES for 2-[(2-methylphenoxy)amino]propan-1-ol is Cc1ccccc1ONC(C)CO.
What is the InChIKey of 2-[(2-methylphenoxy)amino]propan-1-ol?
The InChIKey is LDNRRHSOTNUASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-5-3-4-6-10(8)13-11-9(2)7-12/h3-6,9,11-12H,7H2,1-2H3.
What are the key properties of 2-[(2-methylphenoxy)amino]propan-1-ol?
2-[(2-methylphenoxy)amino]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)amino]propan-1-ol is sourced from PubChem (CID 144867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).