1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol

C16H28N2O3 — CID 115378136

IUPAC1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H28N2O3/c1-5-20-8-9-21-12-15(19)11-17-14-7-6-13(2)16(10-14)18(3)4/h6-7,10,15,17,19H,5,8-9,11-12H2,1-4H3
InChIKeyBROWVQHLDXOWJR-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.89
Rot. Bonds10

About 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol

1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 115378136) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID115378136
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H28N2O3/c1-5-20-8-9-21-12-15(19)11-17-14-7-6-13(2)16(10-14)18(3)4/h6-7,10,15,17,19H,5,8-9,11-12H2,1-4H3
InChIKeyBROWVQHLDXOWJR-UHFFFAOYSA-N
XLogP1.89
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990318
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60899181
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 60897868
1-(3-fluoro-4-methylanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989211
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
1-(4-bromo-3-methylanilino)-3-butoxypropan-2-ol
CID 107262463
2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
CID 115377997

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol (CID 115378136) is 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is BROWVQHLDXOWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-20-8-9-21-12-15(19)11-17-14-7-6-13(2)16(10-14)18(3)4/h6-7,10,15,17,19H,5,8-9,11-12H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol?
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 115378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).