3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol

C14H15NO2 — CID 105486551

IUPAC3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol
SMILESCc1ccc(N)c(C(O)c2cccc(O)c2)c1
InChIInChI=1S/C14H15NO2/c1-9-5-6-13(15)12(7-9)14(17)10-3-2-4-11(16)8-10/h2-8,14,16-17H,15H2,1H3
InChIKeyYULKJATYOZQOOX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.36
Rot. Bonds2

About 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol

3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol (PubChem CID 105486551) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol
PubChem CID105486551
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol
SMILESCc1ccc(N)c(C(O)c2cccc(O)c2)c1
InChIInChI=1S/C14H15NO2/c1-9-5-6-13(15)12(7-9)14(17)10-3-2-4-11(16)8-10/h2-8,14,16-17H,15H2,1H3
InChIKeyYULKJATYOZQOOX-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-methylphenyl)-(3-fluorophenyl)methanol
CID 105489348
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
[3-(difluoromethyl)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 115527738
(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 100803973
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
4-amino-3-[(4-fluorophenyl)-hydroxymethyl]phenol
CID 105492360
bis(4-methylaniline);3-methylphenol
CID 144604707
(2-amino-5-fluorophenyl)-(3-ethylphenyl)methanol
CID 82684554
(3-methylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985341

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol?
The IUPAC name of 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol (CID 105486551) is 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol.
What is the SMILES notation for 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol?
The canonical SMILES for 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol is Cc1ccc(N)c(C(O)c2cccc(O)c2)c1.
What is the InChIKey of 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol?
The InChIKey is YULKJATYOZQOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-5-6-13(15)12(7-9)14(17)10-3-2-4-11(16)8-10/h2-8,14,16-17H,15H2,1H3.
What are the key properties of 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol?
3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol is sourced from PubChem (CID 105486551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).