2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol

C11H17NO2 — CID 83923743

IUPAC2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol
SMILESCc1cccc(O)c1CC(CN)CO
InChIInChI=1S/C11H17NO2/c1-8-3-2-4-11(14)10(8)5-9(6-12)7-13/h2-4,9,13-14H,5-7,12H2,1H3
InChIKeyCHIHSPNFVFDWJV-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.81
Rot. Bonds4

About 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol

2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol (PubChem CID 83923743) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol
PubChem CID83923743
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol
SMILESCc1cccc(O)c1CC(CN)CO
InChIInChI=1S/C11H17NO2/c1-8-3-2-4-11(14)10(8)5-9(6-12)7-13/h2-4,9,13-14H,5-7,12H2,1H3
InChIKeyCHIHSPNFVFDWJV-UHFFFAOYSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
CID 83923738
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549
2-(hydroxymethyl)-3-methylphenol
CID 10997099
4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
CID 43117941
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
2-butyl-3-methylphenol
CID 174788119
2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
CID 83977208
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
CID 63215682
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol
CID 83931466

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol?
The IUPAC name of 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol (CID 83923743) is 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol.
What is the SMILES notation for 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol?
The canonical SMILES for 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol is Cc1cccc(O)c1CC(CN)CO.
What is the InChIKey of 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol?
The InChIKey is CHIHSPNFVFDWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-3-2-4-11(14)10(8)5-9(6-12)7-13/h2-4,9,13-14H,5-7,12H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol?
2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol has a molecular weight of 195.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-hydroxypropyl]-3-methylphenol is sourced from PubChem (CID 83923743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).