[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol

C15H17NO2 — CID 62306971

IUPAC[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
SMILESCc1ccc(CN)c(Oc2ccc(CO)cc2)c1
InChIInChI=1S/C15H17NO2/c1-11-2-5-13(9-16)15(8-11)18-14-6-3-12(10-17)4-7-14/h2-8,17H,9-10,16H2,1H3
InChIKeyGTVBNJGJTWJZOW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds4

About [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol

[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol (PubChem CID 62306971) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
PubChem CID62306971
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol
SMILESCc1ccc(CN)c(Oc2ccc(CO)cc2)c1
InChIInChI=1S/C15H17NO2/c1-11-2-5-13(9-16)15(8-11)18-14-6-3-12(10-17)4-7-14/h2-8,17H,9-10,16H2,1H3
InChIKeyGTVBNJGJTWJZOW-UHFFFAOYSA-N
XLogP2.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
[4-[[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]oxy]phenyl]methanol
CID 81051272
2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107708372
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
[4-methoxy-2-(4-methylphenoxy)phenyl]methanol
CID 54366754
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol (CID 62306971) is [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol is Cc1ccc(CN)c(Oc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol?
The InChIKey is GTVBNJGJTWJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-2-5-13(9-16)15(8-11)18-14-6-3-12(10-17)4-7-14/h2-8,17H,9-10,16H2,1H3.
What are the key properties of [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol?
[4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol has a molecular weight of 243.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-5-methylphenoxy]phenyl]methanol is sourced from PubChem (CID 62306971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).