(3-amino-2-methylphenyl)-methoxymethanol

C9H13NO2 — CID 167254366

IUPAC(3-amino-2-methylphenyl)-methoxymethanol
SMILESCOC(O)c1cccc(N)c1C
InChIInChI=1S/C9H13NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5,9,11H,10H2,1-2H3
InChIKeyZWIZJMOLKOLJLE-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.21
Rot. Bonds2

About (3-amino-2-methylphenyl)-methoxymethanol

(3-amino-2-methylphenyl)-methoxymethanol (PubChem CID 167254366) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-methoxymethanol.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-methoxymethanol
PubChem CID167254366
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(3-amino-2-methylphenyl)-methoxymethanol
SMILESCOC(O)c1cccc(N)c1C
InChIInChI=1S/C9H13NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5,9,11H,10H2,1-2H3
InChIKeyZWIZJMOLKOLJLE-UHFFFAOYSA-N
XLogP1.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(3-amino-2-methylphenyl)pentan-3-one
CID 175239812
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 91678392
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 100804210
(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol
CID 129236952
(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 100803973
(R)-(3-amino-2-methylphenyl)-(4-phenylphenyl)methanol
CID 100804157
1-(3-amino-2-methylphenyl)-1-bromopropan-2-one
CID 118837938
3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
CID 130042028
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
3-amino-2-methylphenol;hydrate
CID 175262808

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-methoxymethanol?
The IUPAC name of (3-amino-2-methylphenyl)-methoxymethanol (CID 167254366) is (3-amino-2-methylphenyl)-methoxymethanol.
What is the SMILES notation for (3-amino-2-methylphenyl)-methoxymethanol?
The canonical SMILES for (3-amino-2-methylphenyl)-methoxymethanol is COC(O)c1cccc(N)c1C.
What is the InChIKey of (3-amino-2-methylphenyl)-methoxymethanol?
The InChIKey is ZWIZJMOLKOLJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5,9,11H,10H2,1-2H3.
What are the key properties of (3-amino-2-methylphenyl)-methoxymethanol?
(3-amino-2-methylphenyl)-methoxymethanol has a molecular weight of 167.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-methoxymethanol is sourced from PubChem (CID 167254366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).