1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine

C12H20N2O — CID 87788373

IUPAC1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine
SMILESCCc1c(N(CC)OC)ccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-5-10-9(3)11(13)7-8-12(10)14(6-2)15-4/h7-8H,5-6,13H2,1-4H3
InChIKeyDUWFCOYVXCBDQO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.53
Rot. Bonds4

About 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine

1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine (PubChem CID 87788373) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine
PubChem CID87788373
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine
SMILESCCc1c(N(CC)OC)ccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-5-10-9(3)11(13)7-8-12(10)14(6-2)15-4/h7-8H,5-6,13H2,1-4H3
InChIKeyDUWFCOYVXCBDQO-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.53
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

4-bromo-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 130512874
4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 130512868
3-ethyl-2,4-dimethylaniline
CID 20714339
3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
CID 130512909
N-[2-(4-amino-N,2-diethyl-3-methylanilino)ethyl]methanesulfonamide;sulfuric acid;hydrate
CID 67688856
1-N,2-diethyl-3-methylbenzene-1,4-diamine
CID 19599042
2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine
CID 130526445
4-ethylsulfanyl-3-(methoxymethyl)-2-methylaniline
CID 19804747
2,4-dimethyl-3-pentylaniline
CID 68571869
2-methyl-3,4-dipropylaniline
CID 70515438
3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
CID 87710202
4-methoxy-2,3-dimethylaniline
CID 11094809

Frequently Asked Questions

What is the IUPAC name of 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine?
The IUPAC name of 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine (CID 87788373) is 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine is CCc1c(N(CC)OC)ccc(N)c1C.
What is the InChIKey of 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine?
The InChIKey is DUWFCOYVXCBDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-10-9(3)11(13)7-8-12(10)14(6-2)15-4/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine?
1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-diethyl-1-N-methoxy-3-methylbenzene-1,4-diamine is sourced from PubChem (CID 87788373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).