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

C15H17NO2 — CID 83962331

IUPAC2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol
SMILESCc1cccc(CNc2ccc(CO)c(O)c2)c1
InChIInChI=1S/C15H17NO2/c1-11-3-2-4-12(7-11)9-16-14-6-5-13(10-17)15(18)8-14/h2-8,16-18H,9-10H2,1H3
InChIKeyWZAYRZKTBORHPP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.81
Rot. Bonds4

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

2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol (PubChem CID 83962331) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol
PubChem CID83962331
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol
SMILESCc1cccc(CNc2ccc(CO)c(O)c2)c1
InChIInChI=1S/C15H17NO2/c1-11-3-2-4-12(7-11)9-16-14-6-5-13(10-17)15(18)8-14/h2-8,16-18H,9-10H2,1H3
InChIKeyWZAYRZKTBORHPP-UHFFFAOYSA-N
XLogP2.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
5-[(3-chlorophenyl)methylamino]-2-methylphenol
CID 18615765
6-bromo-N-[(3-methylphenyl)methyl]naphthalen-2-amine
CID 81260326
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
[3-[(3-methylphenyl)methylamino]phenyl] acetate
CID 82533297
4-ethoxy-3-fluoro-N-[(3-methylphenyl)methyl]aniline
CID 115587227
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
N-[(3-methylphenyl)methyl]-3,4-di(propan-2-yloxy)aniline
CID 83961533

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol?
The IUPAC name of 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol (CID 83962331) is 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol?
The canonical SMILES for 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol is Cc1cccc(CNc2ccc(CO)c(O)c2)c1.
What is the InChIKey of 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol?
The InChIKey is WZAYRZKTBORHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-3-2-4-12(7-11)9-16-14-6-5-13(10-17)15(18)8-14/h2-8,16-18H,9-10H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol?
2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol is sourced from PubChem (CID 83962331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).