(3-amino-2-methylphenyl)methanol

C8H11NO — CID 577175

IUPAC(3-amino-2-methylphenyl)methanol
SMILESCc1c(N)cccc1CO
InChIInChI=1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3
InChIKeyUVYZMJMDIMWDNJ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.07
Rot. Bonds1

About (3-amino-2-methylphenyl)methanol

(3-amino-2-methylphenyl)methanol (PubChem CID 577175) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)methanol
PubChem CID577175
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3-amino-2-methylphenyl)methanol
SMILESCc1c(N)cccc1CO
InChIInChI=1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3
InChIKeyUVYZMJMDIMWDNJ-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.07
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-methylphenyl)methanol?
The IUPAC name of (3-amino-2-methylphenyl)methanol (CID 577175) is (3-amino-2-methylphenyl)methanol.
What is the SMILES notation for (3-amino-2-methylphenyl)methanol?
The canonical SMILES for (3-amino-2-methylphenyl)methanol is Cc1c(N)cccc1CO.
What is the InChIKey of (3-amino-2-methylphenyl)methanol?
The InChIKey is UVYZMJMDIMWDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3.
What are the key properties of (3-amino-2-methylphenyl)methanol?
(3-amino-2-methylphenyl)methanol has a molecular weight of 137.18 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)methanol is sourced from PubChem (CID 577175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).