4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine

C11H18N2O — CID 102694501

IUPAC4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
SMILESCOC(C)CNc1ccc(N)c(C)c1
InChIInChI=1S/C11H18N2O/c1-8-6-10(4-5-11(8)12)13-7-9(2)14-3/h4-6,9,13H,7,12H2,1-3H3
InChIKeySMSZAHLVNRIYKR-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds4

About 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine

4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine (PubChem CID 102694501) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
PubChem CID102694501
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
SMILESCOC(C)CNc1ccc(N)c(C)c1
InChIInChI=1S/C11H18N2O/c1-8-6-10(4-5-11(8)12)13-7-9(2)14-3/h4-6,9,13H,7,12H2,1-3H3
InChIKeySMSZAHLVNRIYKR-UHFFFAOYSA-N
XLogP2.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
3-iodo-N-(2-methoxypropyl)-4-methylaniline
CID 126975577
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
4-(aminomethyl)-N-(2-methoxypropyl)aniline
CID 102694583
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
4-(2-methoxypropylamino)benzene-1,2-dicarbonitrile
CID 107789366
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219
2-methyl-4-N-(4-methylpentyl)benzene-1,4-diamine
CID 63004629
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine (CID 102694501) is 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine is COC(C)CNc1ccc(N)c(C)c1.
What is the InChIKey of 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine?
The InChIKey is SMSZAHLVNRIYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-10(4-5-11(8)12)13-7-9(2)14-3/h4-6,9,13H,7,12H2,1-3H3.
What are the key properties of 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine?
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 102694501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).