3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol

C15H17NO2 — CID 112607358

IUPAC3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
SMILESCc1cccc(CN)c1OCc1cccc(O)c1
InChIInChI=1S/C15H17NO2/c1-11-4-2-6-13(9-16)15(11)18-10-12-5-3-7-14(17)8-12/h2-8,17H,9-10,16H2,1H3
InChIKeyQLYDNYTZSMTBMQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds4

About 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol

3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol (PubChem CID 112607358) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
PubChem CID112607358
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
SMILESCc1cccc(CN)c1OCc1cccc(O)c1
InChIInChI=1S/C15H17NO2/c1-11-4-2-6-13(9-16)15(11)18-10-12-5-3-7-14(17)8-12/h2-8,17H,9-10,16H2,1H3
InChIKeyQLYDNYTZSMTBMQ-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

3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
[2-[(3-fluoro-4-nitrophenyl)methoxy]-3-methylphenyl]methanamine
CID 115951857
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol?
The IUPAC name of 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol (CID 112607358) is 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol.
What is the SMILES notation for 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol?
The canonical SMILES for 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol is Cc1cccc(CN)c1OCc1cccc(O)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol?
The InChIKey is QLYDNYTZSMTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-4-2-6-13(9-16)15(11)18-10-12-5-3-7-14(17)8-12/h2-8,17H,9-10,16H2,1H3.
What are the key properties of 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol?
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol 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 3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol is sourced from PubChem (CID 112607358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).