2-(aminomethyl)-5-methoxyphenol;ethane

C10H17NO2 — CID 154662698

IUPAC2-(aminomethyl)-5-methoxyphenol;ethane
SMILESCC.COc1ccc(CN)c(O)c1
InChIInChI=1S/C8H11NO2.C2H6/c1-11-7-3-2-6(5-9)8(10)4-7;1-2/h2-4,10H,5,9H2,1H3;1-2H3
InChIKeyAOKSBTJGOGYVDH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.89
Rot. Bonds2

About 2-(aminomethyl)-5-methoxyphenol;ethane

2-(aminomethyl)-5-methoxyphenol;ethane (PubChem CID 154662698) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxyphenol;ethane.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxyphenol;ethane
PubChem CID154662698
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(aminomethyl)-5-methoxyphenol;ethane
SMILESCC.COc1ccc(CN)c(O)c1
InChIInChI=1S/C8H11NO2.C2H6/c1-11-7-3-2-6(5-9)8(10)4-7;1-2/h2-4,10H,5,9H2,1H3;1-2H3
InChIKeyAOKSBTJGOGYVDH-UHFFFAOYSA-N
XLogP1.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-prop-2-enylphenol
CID 6424515
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-methoxy-2-propylphenol
CID 12836519
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
CID 155696635
CID 155696635
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxyphenol;ethane?
The IUPAC name of 2-(aminomethyl)-5-methoxyphenol;ethane (CID 154662698) is 2-(aminomethyl)-5-methoxyphenol;ethane.
What is the SMILES notation for 2-(aminomethyl)-5-methoxyphenol;ethane?
The canonical SMILES for 2-(aminomethyl)-5-methoxyphenol;ethane is CC.COc1ccc(CN)c(O)c1.
What is the InChIKey of 2-(aminomethyl)-5-methoxyphenol;ethane?
The InChIKey is AOKSBTJGOGYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C2H6/c1-11-7-3-2-6(5-9)8(10)4-7;1-2/h2-4,10H,5,9H2,1H3;1-2H3.
What are the key properties of 2-(aminomethyl)-5-methoxyphenol;ethane?
2-(aminomethyl)-5-methoxyphenol;ethane has a molecular weight of 183.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxyphenol;ethane is sourced from PubChem (CID 154662698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).