2-(ethylaminomethyl)phenol

C9H13NO — CID 12995218

IUPAC2-(ethylaminomethyl)phenol
SMILESCCNCc1ccccc1O
InChIInChI=1S/C9H13NO/c1-2-10-7-8-5-3-4-6-9(8)11/h3-6,10-11H,2,7H2,1H3
InChIKeyHYQSZSSNBPVQMW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.50
Rot. Bonds3

About 2-(ethylaminomethyl)phenol

2-(ethylaminomethyl)phenol (PubChem CID 12995218) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(ethylaminomethyl)phenol.

Molecular Properties

Compound Name2-(ethylaminomethyl)phenol
PubChem CID12995218
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(ethylaminomethyl)phenol
SMILESCCNCc1ccccc1O
InChIInChI=1S/C9H13NO/c1-2-10-7-8-5-3-4-6-9(8)11/h3-6,10-11H,2,7H2,1H3
InChIKeyHYQSZSSNBPVQMW-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.50
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

2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
2-[2-(ethylamino)ethyl]phenol;hydrochloride
CID 68825944
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
2-[(2-methylidenebutylamino)methyl]phenol
CID 114331940
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2-ethylphenol;N-methylmethanamine
CID 118325670
2-[(benzylamino)methyl]phenol chloride
CID 53350489
benzene;2-ethylphenol
CID 159726745

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)phenol?
The IUPAC name of 2-(ethylaminomethyl)phenol (CID 12995218) is 2-(ethylaminomethyl)phenol.
What is the SMILES notation for 2-(ethylaminomethyl)phenol?
The canonical SMILES for 2-(ethylaminomethyl)phenol is CCNCc1ccccc1O.
What is the InChIKey of 2-(ethylaminomethyl)phenol?
The InChIKey is HYQSZSSNBPVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-10-7-8-5-3-4-6-9(8)11/h3-6,10-11H,2,7H2,1H3.
What are the key properties of 2-(ethylaminomethyl)phenol?
2-(ethylaminomethyl)phenol has a molecular weight of 151.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)phenol is sourced from PubChem (CID 12995218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).