2-[[(2-methylphenyl)methylamino]methyl]phenol

C15H17NO — CID 60912930

IUPAC2-[[(2-methylphenyl)methylamino]methyl]phenol
SMILESCc1ccccc1CNCc1ccccc1O
InChIInChI=1S/C15H17NO/c1-12-6-2-3-7-13(12)10-16-11-14-8-4-5-9-15(14)17/h2-9,16-17H,10-11H2,1H3
InChIKeyPFJJQJNCNCFVBY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.99
Rot. Bonds4

About 2-[[(2-methylphenyl)methylamino]methyl]phenol

2-[[(2-methylphenyl)methylamino]methyl]phenol (PubChem CID 60912930) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[[(2-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-methylphenyl)methylamino]methyl]phenol
PubChem CID60912930
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[[(2-methylphenyl)methylamino]methyl]phenol
SMILESCc1ccccc1CNCc1ccccc1O
InChIInChI=1S/C15H17NO/c1-12-6-2-3-7-13(12)10-16-11-14-8-4-5-9-15(14)17/h2-9,16-17H,10-11H2,1H3
InChIKeyPFJJQJNCNCFVBY-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
2-(ethylaminomethyl)phenol
CID 12995218
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(2-methylphenyl)methylamino]methyl]phenol (CID 60912930) is 2-[[(2-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(2-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(2-methylphenyl)methylamino]methyl]phenol is Cc1ccccc1CNCc1ccccc1O.
What is the InChIKey of 2-[[(2-methylphenyl)methylamino]methyl]phenol?
The InChIKey is PFJJQJNCNCFVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-6-2-3-7-13(12)10-16-11-14-8-4-5-9-15(14)17/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 2-[[(2-methylphenyl)methylamino]methyl]phenol?
2-[[(2-methylphenyl)methylamino]methyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 60912930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).