methanol;3-methylbenzene-1,2-diamine

C8H14N2O — CID 174839717

IUPACmethanol;3-methylbenzene-1,2-diamine
SMILESCO.Cc1cccc(N)c1N
InChIInChI=1S/C7H10N2.CH4O/c1-5-3-2-4-6(8)7(5)9;1-2/h2-4H,8-9H2,1H3;2H,1H3
InChIKeyYTJWYTIYOJRLGT-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.77
Rot. Bonds

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

methanol;3-methylbenzene-1,2-diamine (PubChem CID 174839717) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is methanol;3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Namemethanol;3-methylbenzene-1,2-diamine
PubChem CID174839717
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Namemethanol;3-methylbenzene-1,2-diamine
SMILESCO.Cc1cccc(N)c1N
InChIInChI=1S/C7H10N2.CH4O/c1-5-3-2-4-6(8)7(5)9;1-2/h2-4H,8-9H2,1H3;2H,1H3
InChIKeyYTJWYTIYOJRLGT-UHFFFAOYSA-N
XLogP0.77
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylbenzene-1,2-diamine
CID 162019775
2,6-dimethylaniline;2-methylaniline
CID 160714609
3-(trideuteriomethyl)benzene-1,2-diamine
CID 71315901
dichloroiron;2,6-dimethylaniline
CID 175869472
ethyl ethoxycarbothioylsulfanylformate;3-methylbenzene-1,2-diamine
CID 90659521
2,3-dimethylaniline;ethane
CID 142025904
2,3-dimethylaniline;sulfur dioxide
CID 154998449
2-methylaniline;dihydrochloride
CID 23331471
CID 67897123
CID 67897123
CID 175394275
CID 175394275
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493

Frequently Asked Questions

What is the IUPAC name of methanol;3-methylbenzene-1,2-diamine?
The IUPAC name of methanol;3-methylbenzene-1,2-diamine (CID 174839717) is methanol;3-methylbenzene-1,2-diamine.
What is the SMILES notation for methanol;3-methylbenzene-1,2-diamine?
The canonical SMILES for methanol;3-methylbenzene-1,2-diamine is CO.Cc1cccc(N)c1N.
What is the InChIKey of methanol;3-methylbenzene-1,2-diamine?
The InChIKey is YTJWYTIYOJRLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.CH4O/c1-5-3-2-4-6(8)7(5)9;1-2/h2-4H,8-9H2,1H3;2H,1H3.
What are the key properties of methanol;3-methylbenzene-1,2-diamine?
methanol;3-methylbenzene-1,2-diamine has a molecular weight of 154.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methylbenzene-1,2-diamine is sourced from PubChem (CID 174839717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).