1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol

C15H26N2O — CID 82071642

IUPAC1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
SMILESCCCCN(CC)CCC(O)c1ccccc1N
InChIInChI=1S/C15H26N2O/c1-3-5-11-17(4-2)12-10-15(18)13-8-6-7-9-14(13)16/h6-9,15,18H,3-5,10-12,16H2,1-2H3
InChIKeyGXWHMXHYTODJKK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.81
Rot. Bonds8

About 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol

1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol (PubChem CID 82071642) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
PubChem CID82071642
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
SMILESCCCCN(CC)CCC(O)c1ccccc1N
InChIInChI=1S/C15H26N2O/c1-3-5-11-17(4-2)12-10-15(18)13-8-6-7-9-14(13)16/h6-9,15,18H,3-5,10-12,16H2,1-2H3
InChIKeyGXWHMXHYTODJKK-UHFFFAOYSA-N
XLogP2.81
TPSA49.49 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 ≤ 52.81
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-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
CID 82071441
1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
CID 62264739
1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol
CID 102991607
1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82071464
1-(2-aminophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 62266300
3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
CID 102997275
3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 82073915
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-[[2-(2-aminophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 62266148
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol (CID 82071642) is 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol is CCCCN(CC)CCC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
The InChIKey is GXWHMXHYTODJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-5-11-17(4-2)12-10-15(18)13-8-6-7-9-14(13)16/h6-9,15,18H,3-5,10-12,16H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol?
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 82071642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).