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

C11H18N2O — CID 102694434

IUPAC1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
SMILESCOC(C)CNc1ccc(C)cc1N
InChIInChI=1S/C11H18N2O/c1-8-4-5-11(10(12)6-8)13-7-9(2)14-3/h4-6,9,13H,7,12H2,1-3H3
InChIKeySNWHNDCGZOOTQS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds4

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

1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine (PubChem CID 102694434) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
PubChem CID102694434
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
SMILESCOC(C)CNc1ccc(C)cc1N
InChIInChI=1S/C11H18N2O/c1-8-4-5-11(10(12)6-8)13-7-9(2)14-3/h4-6,9,13H,7,12H2,1-3H3
InChIKeySNWHNDCGZOOTQS-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

1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
2-(2-methoxypropylamino)-5-methylbenzenecarbothioamide
CID 107929339
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
N-(2-methoxypropyl)-5-methyl-2-nitroaniline
CID 102698941
4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
CID 102694545
4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 114136517
ethyl 4-amino-3-(2-methoxypropylamino)benzoate
CID 102700277
methyl 4-amino-3-[[(2R)-2-methoxypropyl]amino]benzoate
CID 169160430
4-(aminomethyl)-2-bromo-N-(2-methoxypropyl)aniline
CID 102694579
1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
CID 54377265
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine (CID 102694434) is 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine is COC(C)CNc1ccc(C)cc1N.
What is the InChIKey of 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine?
The InChIKey is SNWHNDCGZOOTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-4-5-11(10(12)6-8)13-7-9(2)14-3/h4-6,9,13H,7,12H2,1-3H3.
What are the key properties of 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine?
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-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 1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 102694434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).