[3-(aminomethyl)-2-methylphenyl]methanol

C9H13NO — CID 45091737

IUPAC[3-(aminomethyl)-2-methylphenyl]methanol
SMILESCc1c(CN)cccc1CO
InChIInChI=1S/C9H13NO/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4,11H,5-6,10H2,1H3
InChIKeyZOZPQMZMSOKZMO-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.95
Rot. Bonds2

About [3-(aminomethyl)-2-methylphenyl]methanol

[3-(aminomethyl)-2-methylphenyl]methanol (PubChem CID 45091737) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is [3-(aminomethyl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-2-methylphenyl]methanol
PubChem CID45091737
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name[3-(aminomethyl)-2-methylphenyl]methanol
SMILESCc1c(CN)cccc1CO
InChIInChI=1S/C9H13NO/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4,11H,5-6,10H2,1H3
InChIKeyZOZPQMZMSOKZMO-UHFFFAOYSA-N
XLogP0.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;[3-(hydroxymethyl)-2-methylphenyl]methanol
CID 71387319
[2-(aminomethyl)-3-methylphenyl]methanol
CID 135377044
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
[3-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol;hydrochloride
CID 170914048
[3-(3-chloropropyl)-2-methylphenyl]methanol
CID 134621907
[3-(aminomethyl)-2-methylphenyl]methanesulfonamide;hydrochloride
CID 69446496
[3-(4-fluorophenyl)-2-methylphenyl]methanamine
CID 171364549
(3-ethenyl-2-methylphenyl)methanamine
CID 155364833
3-(aminomethyl)-2-methylbenzonitrile
CID 67666670
(5-chloro-1-methylnaphthalen-2-yl)methanamine
CID 115057593
(5-fluoro-1-methylnaphthalen-2-yl)methanamine
CID 115057589
3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea
CID 82507361

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2-methylphenyl]methanol?
The IUPAC name of [3-(aminomethyl)-2-methylphenyl]methanol (CID 45091737) is [3-(aminomethyl)-2-methylphenyl]methanol.
What is the SMILES notation for [3-(aminomethyl)-2-methylphenyl]methanol?
The canonical SMILES for [3-(aminomethyl)-2-methylphenyl]methanol is Cc1c(CN)cccc1CO.
What is the InChIKey of [3-(aminomethyl)-2-methylphenyl]methanol?
The InChIKey is ZOZPQMZMSOKZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4,11H,5-6,10H2,1H3.
What are the key properties of [3-(aminomethyl)-2-methylphenyl]methanol?
[3-(aminomethyl)-2-methylphenyl]methanol has a molecular weight of 151.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2-methylphenyl]methanol is sourced from PubChem (CID 45091737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).