1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol

C18H25N3O — CID 82071464

IUPAC1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1ccccc1N
InChIInChI=1S/C18H25N3O/c1-2-21(13-9-15-7-11-20-12-8-15)14-10-18(22)16-5-3-4-6-17(16)19/h3-8,11-12,18,22H,2,9-10,13-14,19H2,1H3
InChIKeyCZUYQFXTULCUHF-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.65
Rot. Bonds8

About 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol

1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol (PubChem CID 82071464) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
PubChem CID82071464
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1ccccc1N
InChIInChI=1S/C18H25N3O/c1-2-21(13-9-15-7-11-20-12-8-15)14-10-18(22)16-5-3-4-6-17(16)19/h3-8,11-12,18,22H,2,9-10,13-14,19H2,1H3
InChIKeyCZUYQFXTULCUHF-UHFFFAOYSA-N
XLogP2.65
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
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

1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074199
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 82074473
1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
CID 82071441
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82074425
2-[ethyl(2-pyridin-4-ylethyl)amino]-1-pyridin-2-ylethanol
CID 82216622
1-(2-aminophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 62266300
1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol
CID 102991607
1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
CID 62264739
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-[[2-(2-aminophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 62266148

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol (CID 82071464) is 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol is CCN(CCc1ccncc1)CCC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
The InChIKey is CZUYQFXTULCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-21(13-9-15-7-11-20-12-8-15)14-10-18(22)16-5-3-4-6-17(16)19/h3-8,11-12,18,22H,2,9-10,13-14,19H2,1H3.
What are the key properties of 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol?
1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol has a molecular weight of 299.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 82071464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).