3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine

C10H16N2O — CID 130512909

IUPAC3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
SMILESCCN(OC)c1cc(N)ccc1C
InChIInChI=1S/C10H16N2O/c1-4-12(13-3)10-7-9(11)6-5-8(10)2/h5-7H,4,11H2,1-3H3
InChIKeyZDUKWFKESVTUMX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds3

About 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine

3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine (PubChem CID 130512909) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
PubChem CID130512909
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
SMILESCCN(OC)c1cc(N)ccc1C
InChIInChI=1S/C10H16N2O/c1-4-12(13-3)10-7-9(11)6-5-8(10)2/h5-7H,4,11H2,1-3H3
InChIKeyZDUKWFKESVTUMX-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 130512868
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine
CID 87788373
N-(5-amino-2-methylphenyl)-N-formylformamide
CID 57351652
4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine
CID 107869155
4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590529
3-(methoxymethoxy)-4-methylaniline
CID 65365143
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 55091797
3-(ethoxymethoxy)-4-methylaniline
CID 65364310

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine (CID 130512909) is 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine is CCN(OC)c1cc(N)ccc1C.
What is the InChIKey of 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine?
The InChIKey is ZDUKWFKESVTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-12(13-3)10-7-9(11)6-5-8(10)2/h5-7H,4,11H2,1-3H3.
What are the key properties of 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine?
3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 130512909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).