3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine

C15H26N2O — CID 80722610

IUPAC3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CC)CC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-7-18-15-9-13(16)8-14(10-15)17(6-2)11-12(3)4/h8-10,12H,5-7,11,16H2,1-4H3
InChIKeyPIAFLAPOEFAVQI-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.54
Rot. Bonds7

About 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine

3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine (PubChem CID 80722610) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
PubChem CID80722610
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CC)CC(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-7-18-15-9-13(16)8-14(10-15)17(6-2)11-12(3)4/h8-10,12H,5-7,11,16H2,1-4H3
InChIKeyPIAFLAPOEFAVQI-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80739720
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 102991192
3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 107397232
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
3-N-(3,3-dimethylbutan-2-yl)-3-N-methyl-5-propoxybenzene-1,3-diamine
CID 80739495
2-[3-amino-5-ethoxy-N-(2-methylpropyl)anilino]acetamide
CID 80739279
3-N-butan-2-yl-3-N-butyl-5-propoxybenzene-1,3-diamine
CID 80738961
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478314

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine (CID 80722610) is 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(N(CC)CC(C)C)c1.
What is the InChIKey of 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
The InChIKey is PIAFLAPOEFAVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-18-15-9-13(16)8-14(10-15)17(6-2)11-12(3)4/h8-10,12H,5-7,11,16H2,1-4H3.
What are the key properties of 3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine?
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.54, 7 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-(2-methylpropyl)-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80722610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).