(3-amino-2,4-dimethylphenyl)methanol

C9H13NO — CID 45116648

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

About (3-amino-2,4-dimethylphenyl)methanol

(3-amino-2,4-dimethylphenyl)methanol (PubChem CID 45116648) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3-amino-2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-amino-2,4-dimethylphenyl)methanol
PubChem CID45116648
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3-amino-2,4-dimethylphenyl)methanol
SMILESCc1ccc(CO)c(C)c1N
InChIInChI=1S/C9H13NO/c1-6-3-4-8(5-11)7(2)9(6)10/h3-4,11H,5,10H2,1-2H3
InChIKeyYVCNCCWEYVQDAC-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 (3-amino-2,4-dimethylphenyl)methanol?
The IUPAC name of (3-amino-2,4-dimethylphenyl)methanol (CID 45116648) is (3-amino-2,4-dimethylphenyl)methanol.
What is the SMILES notation for (3-amino-2,4-dimethylphenyl)methanol?
The canonical SMILES for (3-amino-2,4-dimethylphenyl)methanol is Cc1ccc(CO)c(C)c1N.
What is the InChIKey of (3-amino-2,4-dimethylphenyl)methanol?
The InChIKey is YVCNCCWEYVQDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-3-4-8(5-11)7(2)9(6)10/h3-4,11H,5,10H2,1-2H3.
What are the key properties of (3-amino-2,4-dimethylphenyl)methanol?
(3-amino-2,4-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 (3-amino-2,4-dimethylphenyl)methanol is sourced from PubChem (CID 45116648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).