1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol

C15H26N2O2 — CID 80734941

IUPAC1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-6-17(10-15(4,5)18)13-7-12(16)8-14(9-13)19-11(2)3/h7-9,11,18H,6,10,16H2,1-5H3
InChIKeyDTLNHVIVODXGCO-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.65
Rot. Bonds6

About 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol

1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol (PubChem CID 80734941) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol
PubChem CID80734941
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-6-17(10-15(4,5)18)13-7-12(16)8-14(9-13)19-11(2)3/h7-9,11,18H,6,10,16H2,1-5H3
InChIKeyDTLNHVIVODXGCO-UHFFFAOYSA-N
XLogP2.65
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
CID 80730536
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propan-2-yloxybenzene-1,3-diamine
CID 102991115
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
3-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]propanenitrile
CID 80738390
2-(3-amino-N-methyl-5-propan-2-yloxyanilino)-N-ethylacetamide
CID 80740226
1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848544
3-N-cyclopropyl-5-propan-2-yloxy-3-N-propylbenzene-1,3-diamine
CID 80722008
3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80731070
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol (CID 80734941) is 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol?
The InChIKey is DTLNHVIVODXGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-17(10-15(4,5)18)13-7-12(16)8-14(9-13)19-11(2)3/h7-9,11,18H,6,10,16H2,1-5H3.
What are the key properties of 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol?
1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 80734941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).