(2-amino-3,6-dimethylphenyl)methanol

C9H13NO — CID 57370658

IUPAC(2-amino-3,6-dimethylphenyl)methanol
SMILESCc1ccc(C)c(CO)c1N
InChIInChI=1S/C9H13NO/c1-6-3-4-7(2)9(10)8(6)5-11/h3-4,11H,5,10H2,1-2H3
InChIKeyNXNWWPMVRXQYFD-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.38
Rot. Bonds1

About (2-amino-3,6-dimethylphenyl)methanol

(2-amino-3,6-dimethylphenyl)methanol (PubChem CID 57370658) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2-amino-3,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-3,6-dimethylphenyl)methanol
PubChem CID57370658
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2-amino-3,6-dimethylphenyl)methanol
SMILESCc1ccc(C)c(CO)c1N
InChIInChI=1S/C9H13NO/c1-6-3-4-7(2)9(10)8(6)5-11/h3-4,11H,5,10H2,1-2H3
InChIKeyNXNWWPMVRXQYFD-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3,6-dimethylphenyl)methanol?
The IUPAC name of (2-amino-3,6-dimethylphenyl)methanol (CID 57370658) is (2-amino-3,6-dimethylphenyl)methanol.
What is the SMILES notation for (2-amino-3,6-dimethylphenyl)methanol?
The canonical SMILES for (2-amino-3,6-dimethylphenyl)methanol is Cc1ccc(C)c(CO)c1N.
What is the InChIKey of (2-amino-3,6-dimethylphenyl)methanol?
The InChIKey is NXNWWPMVRXQYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-3-4-7(2)9(10)8(6)5-11/h3-4,11H,5,10H2,1-2H3.
What are the key properties of (2-amino-3,6-dimethylphenyl)methanol?
(2-amino-3,6-dimethylphenyl)methanol has a molecular weight of 151.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,6-dimethylphenyl)methanol is sourced from PubChem (CID 57370658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).