3-(methoxymethyl)benzene-1,2-diamine

C8H12N2O — CID 45116640

IUPAC3-(methoxymethyl)benzene-1,2-diamine
SMILESCOCc1cccc(N)c1N
InChIInChI=1S/C8H12N2O/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4H,5,9-10H2,1H3
InChIKeyNALYLNXLDCVXJX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.00
Rot. Bonds2

About 3-(methoxymethyl)benzene-1,2-diamine

3-(methoxymethyl)benzene-1,2-diamine (PubChem CID 45116640) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(methoxymethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(methoxymethyl)benzene-1,2-diamine
PubChem CID45116640
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(methoxymethyl)benzene-1,2-diamine
SMILESCOCc1cccc(N)c1N
InChIInChI=1S/C8H12N2O/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4H,5,9-10H2,1H3
InChIKeyNALYLNXLDCVXJX-UHFFFAOYSA-N
XLogP1.00
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(methoxymethyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethyl)-2-methylaniline
CID 14801184
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
tris(2,6-bis(methoxymethyl)benzenethiol);trihydrofluoride
CID 173023834
2-[2,6-bis(methoxymethyl)phenyl]sulfanyl-1,3-bis(methoxymethyl)benzene
CID 151554514
4-chloro-8-(methoxymethyl)quinolin-3-amine
CID 102614193
3-bromo-2-(methoxymethyl)aniline
CID 43349731
3-heptylbenzene-1,2-diamine
CID 54294278
3-hexadecylbenzene-1,2-diamine
CID 21486063
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
methane;3-(oxiran-2-ylmethyl)benzene-1,2-diamine
CID 174429069
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)benzene-1,2-diamine?
The IUPAC name of 3-(methoxymethyl)benzene-1,2-diamine (CID 45116640) is 3-(methoxymethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-(methoxymethyl)benzene-1,2-diamine?
The canonical SMILES for 3-(methoxymethyl)benzene-1,2-diamine is COCc1cccc(N)c1N.
What is the InChIKey of 3-(methoxymethyl)benzene-1,2-diamine?
The InChIKey is NALYLNXLDCVXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4H,5,9-10H2,1H3.
What are the key properties of 3-(methoxymethyl)benzene-1,2-diamine?
3-(methoxymethyl)benzene-1,2-diamine has a molecular weight of 152.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)benzene-1,2-diamine is sourced from PubChem (CID 45116640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).