methanol;3-methoxybenzene-1,2-diamine

C8H14N2O2 — CID 174908169

IUPACmethanol;3-methoxybenzene-1,2-diamine
SMILESCO.COc1cccc(N)c1N
InChIInChI=1S/C7H10N2O.CH4O/c1-10-6-4-2-3-5(8)7(6)9;1-2/h2-4H,8-9H2,1H3;2H,1H3
InChIKeyLOQNOHSLGNNEMJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.47
Rot. Bonds1

About methanol;3-methoxybenzene-1,2-diamine

methanol;3-methoxybenzene-1,2-diamine (PubChem CID 174908169) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is methanol;3-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Namemethanol;3-methoxybenzene-1,2-diamine
PubChem CID174908169
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namemethanol;3-methoxybenzene-1,2-diamine
SMILESCO.COc1cccc(N)c1N
InChIInChI=1S/C7H10N2O.CH4O/c1-10-6-4-2-3-5(8)7(6)9;1-2/h2-4H,8-9H2,1H3;2H,1H3
InChIKeyLOQNOHSLGNNEMJ-UHFFFAOYSA-N
XLogP0.47
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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2-amino-6-methoxybenzoic acid;hydrochloride
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1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
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2,6-dimethoxyaniline;2-isothiocyanato-1,3-dimethoxybenzene
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2-[2-(2-methoxyphenyl)ethynyl]benzene-1,3-diamine
CID 102223785
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
methanol;3-methylbenzene-1,2-diamine
CID 174839717
2-bromo-7-methoxy-1-benzothiophen-3-amine
CID 130798724
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
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2-methoxy-6-prop-1-ynylaniline
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Frequently Asked Questions

What is the IUPAC name of methanol;3-methoxybenzene-1,2-diamine?
The IUPAC name of methanol;3-methoxybenzene-1,2-diamine (CID 174908169) is methanol;3-methoxybenzene-1,2-diamine.
What is the SMILES notation for methanol;3-methoxybenzene-1,2-diamine?
The canonical SMILES for methanol;3-methoxybenzene-1,2-diamine is CO.COc1cccc(N)c1N.
What is the InChIKey of methanol;3-methoxybenzene-1,2-diamine?
The InChIKey is LOQNOHSLGNNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.CH4O/c1-10-6-4-2-3-5(8)7(6)9;1-2/h2-4H,8-9H2,1H3;2H,1H3.
What are the key properties of methanol;3-methoxybenzene-1,2-diamine?
methanol;3-methoxybenzene-1,2-diamine has a molecular weight of 170.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methoxybenzene-1,2-diamine is sourced from PubChem (CID 174908169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).