2-(aminomethyl)-3-ethylphenol

C9H13NO — CID 21467751

IUPAC2-(aminomethyl)-3-ethylphenol
SMILESCCc1cccc(O)c1CN
InChIInChI=1S/C9H13NO/c1-2-7-4-3-5-9(11)8(7)6-10/h3-5,11H,2,6,10H2,1H3
InChIKeyNTFGDGQCDKKZFZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.41
Rot. Bonds2

About 2-(aminomethyl)-3-ethylphenol

2-(aminomethyl)-3-ethylphenol (PubChem CID 21467751) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-ethylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-3-ethylphenol
PubChem CID21467751
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(aminomethyl)-3-ethylphenol
SMILESCCc1cccc(O)c1CN
InChIInChI=1S/C9H13NO/c1-2-7-4-3-5-9(11)8(7)6-10/h3-5,11H,2,6,10H2,1H3
InChIKeyNTFGDGQCDKKZFZ-UHFFFAOYSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.41
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

carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
benzene;2-ethylphenol
CID 159726745
2,3-bis[(2,3,4-triethylphenyl)methyl]phenol
CID 67181329
3-ethyl-2-(phenoxymethyl)phenol
CID 174805070
3-ethyl-2-octylphenol
CID 66867297
[2-(aminomethyl)-3-ethylphenyl] 2-aminoacetate
CID 174819921
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549
3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719
2-(2,3-diethylphenyl)-3-ethylphenol
CID 101302469
(Z)-2,3-bis[2-(aminomethyl)-6-ethylphenyl]but-2-enedioic acid
CID 174970107
1-chloro-3-(2-ethyl-3-hydroxyphenyl)propan-2-one
CID 170836612
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-ethylphenol?
The IUPAC name of 2-(aminomethyl)-3-ethylphenol (CID 21467751) is 2-(aminomethyl)-3-ethylphenol.
What is the SMILES notation for 2-(aminomethyl)-3-ethylphenol?
The canonical SMILES for 2-(aminomethyl)-3-ethylphenol is CCc1cccc(O)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-ethylphenol?
The InChIKey is NTFGDGQCDKKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-7-4-3-5-9(11)8(7)6-10/h3-5,11H,2,6,10H2,1H3.
What are the key properties of 2-(aminomethyl)-3-ethylphenol?
2-(aminomethyl)-3-ethylphenol has a molecular weight of 151.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-ethylphenol is sourced from PubChem (CID 21467751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).