ethane;4-(methylaminomethyl)benzene-1,2-diol

C10H17NO2 — CID 142030506

IUPACethane;4-(methylaminomethyl)benzene-1,2-diol
SMILESCC.CNCc1ccc(O)c(O)c1
InChIInChI=1S/C8H11NO2.C2H6/c1-9-5-6-2-3-7(10)8(11)4-6;1-2/h2-4,9-11H,5H2,1H3;1-2H3
InChIKeyNIRVLYMFNLLPBT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.84
Rot. Bonds2

About ethane;4-(methylaminomethyl)benzene-1,2-diol

ethane;4-(methylaminomethyl)benzene-1,2-diol (PubChem CID 142030506) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethane;4-(methylaminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Nameethane;4-(methylaminomethyl)benzene-1,2-diol
PubChem CID142030506
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethane;4-(methylaminomethyl)benzene-1,2-diol
SMILESCC.CNCc1ccc(O)c(O)c1
InChIInChI=1S/C8H11NO2.C2H6/c1-9-5-6-2-3-7(10)8(11)4-6;1-2/h2-4,9-11H,5H2,1H3;1-2H3
InChIKeyNIRVLYMFNLLPBT-UHFFFAOYSA-N
XLogP1.84
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(methylaminomethyl)benzene-1,2-diol
CID 14515287
4-[3-(methylamino)propyl]benzene-1,2-diol
CID 14515291
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
1-bromo-6-(methylaminomethyl)naphthalen-2-ol
CID 69137575
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzene-1,2-diol
CID 28724969
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzene-1,2-diol
CID 79253374
4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol
CID 28832999
N-[(3,4-dihydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 67129617
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
3,4-dihydroxybenzaldehyde;N-methyl-1-phenylmethanamine
CID 175403126
fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol
CID 158050846

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methylaminomethyl)benzene-1,2-diol?
The IUPAC name of ethane;4-(methylaminomethyl)benzene-1,2-diol (CID 142030506) is ethane;4-(methylaminomethyl)benzene-1,2-diol.
What is the SMILES notation for ethane;4-(methylaminomethyl)benzene-1,2-diol?
The canonical SMILES for ethane;4-(methylaminomethyl)benzene-1,2-diol is CC.CNCc1ccc(O)c(O)c1.
What is the InChIKey of ethane;4-(methylaminomethyl)benzene-1,2-diol?
The InChIKey is NIRVLYMFNLLPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C2H6/c1-9-5-6-2-3-7(10)8(11)4-6;1-2/h2-4,9-11H,5H2,1H3;1-2H3.
What are the key properties of ethane;4-(methylaminomethyl)benzene-1,2-diol?
ethane;4-(methylaminomethyl)benzene-1,2-diol has a molecular weight of 183.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methylaminomethyl)benzene-1,2-diol is sourced from PubChem (CID 142030506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).