1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol

C19H28N4O3 — CID 142613544

IUPAC1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol
SMILESCC(O)Nc1ccc(NCCC(O)Nc2ccc(NC(C)O)cc2)cc1
InChIInChI=1S/C19H28N4O3/c1-13(24)21-16-5-3-15(4-6-16)20-12-11-19(26)23-18-9-7-17(8-10-18)22-14(2)25/h3-10,13-14,19-26H,11-12H2,1-2H3
InChIKeyLNIHBXDIZFZYET-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.42
Rot. Bonds10

About 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol

1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol (PubChem CID 142613544) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol.

Molecular Properties

Compound Name1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol
PubChem CID142613544
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol
SMILESCC(O)Nc1ccc(NCCC(O)Nc2ccc(NC(C)O)cc2)cc1
InChIInChI=1S/C19H28N4O3/c1-13(24)21-16-5-3-15(4-6-16)20-12-11-19(26)23-18-9-7-17(8-10-18)22-14(2)25/h3-10,13-14,19-26H,11-12H2,1-2H3
InChIKeyLNIHBXDIZFZYET-UHFFFAOYSA-N
XLogP2.42
TPSA108.81 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 52.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-anilinoethanol;hydrate
CID 173450384
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CID 126713399
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CID 173121721
1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine
CID 154194478
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
4-N-(4-methylpentan-2-yl)-1-N-[10-[4-(4-methylpentan-2-ylamino)anilino]decyl]benzene-1,4-diamine
CID 126713435
N-(3,4-dimethylpentyl)aniline
CID 89346874
4-(4-hydroxypentylamino)benzonitrile
CID 107269238
1-anilinohexadecan-1-ol
CID 173133122
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
4-fluoro-N-pentan-2-ylaniline
CID 15724808
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol?
The IUPAC name of 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol (CID 142613544) is 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol.
What is the SMILES notation for 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol?
The canonical SMILES for 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol is CC(O)Nc1ccc(NCCC(O)Nc2ccc(NC(C)O)cc2)cc1.
What is the InChIKey of 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol?
The InChIKey is LNIHBXDIZFZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(24)21-16-5-3-15(4-6-16)20-12-11-19(26)23-18-9-7-17(8-10-18)22-14(2)25/h3-10,13-14,19-26H,11-12H2,1-2H3.
What are the key properties of 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol?
1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol has a molecular weight of 360.46 g/mol, XLogP of 2.42, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol is sourced from PubChem (CID 142613544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).