1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine

C15H26N2O — CID 107819851

IUPAC1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
SMILESCCCCC(CC)CNc1ccc(OC)cc1N
InChIInChI=1S/C15H26N2O/c1-4-6-7-12(5-2)11-17-15-9-8-13(18-3)10-14(15)16/h8-10,12,17H,4-7,11,16H2,1-3H3
InChIKeyWQMFDHKYRDXNMU-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.91
Rot. Bonds8

About 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine

1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine (PubChem CID 107819851) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
PubChem CID107819851
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
SMILESCCCCC(CC)CNc1ccc(OC)cc1N
InChIInChI=1S/C15H26N2O/c1-4-6-7-12(5-2)11-17-15-9-8-13(18-3)10-14(15)16/h8-10,12,17H,4-7,11,16H2,1-3H3
InChIKeyWQMFDHKYRDXNMU-UHFFFAOYSA-N
XLogP3.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
CID 106284251
1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107819905
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
CID 114145219
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
2-N-(2-ethylhexyl)-6-methoxypyridine-2,3-diamine
CID 114004558
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
CID 63487753
N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 43678119

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine (CID 107819851) is 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine is CCCCC(CC)CNc1ccc(OC)cc1N.
What is the InChIKey of 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine?
The InChIKey is WQMFDHKYRDXNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-7-12(5-2)11-17-15-9-8-13(18-3)10-14(15)16/h8-10,12,17H,4-7,11,16H2,1-3H3.
What are the key properties of 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine?
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine is sourced from PubChem (CID 107819851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).