4-methoxy-5-(methoxymethyl)benzene-1,3-diamine

C9H14N2O2 — CID 67440862

IUPAC4-methoxy-5-(methoxymethyl)benzene-1,3-diamine
SMILESCOCc1cc(N)cc(N)c1OC
InChIInChI=1S/C9H14N2O2/c1-12-5-6-3-7(10)4-8(11)9(6)13-2/h3-4H,5,10-11H2,1-2H3
InChIKeyBIIBPYHWIMDLCM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.01
Rot. Bonds3

About 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine

4-methoxy-5-(methoxymethyl)benzene-1,3-diamine (PubChem CID 67440862) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-5-(methoxymethyl)benzene-1,3-diamine
PubChem CID67440862
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-methoxy-5-(methoxymethyl)benzene-1,3-diamine
SMILESCOCc1cc(N)cc(N)c1OC
InChIInChI=1S/C9H14N2O2/c1-12-5-6-3-7(10)4-8(11)9(6)13-2/h3-4H,5,10-11H2,1-2H3
InChIKeyBIIBPYHWIMDLCM-UHFFFAOYSA-N
XLogP1.01
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-5-(methoxymethyl)aniline
CID 13335751
3,5-bis(aminomethyl)-4-methoxyaniline;trihydrochloride
CID 23346960
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556
[2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid
CID 10262520
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037
1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
5-chloro-2-methoxy-3-(methoxymethyl)benzoic acid
CID 83894548
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
3,5-bis(aminomethyl)-2,4-dimethoxyaniline
CID 23346962
3,5-dichloro-2-methoxyaniline
CID 11217747

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine?
The IUPAC name of 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine (CID 67440862) is 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine?
The canonical SMILES for 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine is COCc1cc(N)cc(N)c1OC.
What is the InChIKey of 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine?
The InChIKey is BIIBPYHWIMDLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-12-5-6-3-7(10)4-8(11)9(6)13-2/h3-4H,5,10-11H2,1-2H3.
What are the key properties of 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine?
4-methoxy-5-(methoxymethyl)benzene-1,3-diamine has a molecular weight of 182.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(methoxymethyl)benzene-1,3-diamine is sourced from PubChem (CID 67440862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).