3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol

C18H32N2O4 — CID 67533016

IUPAC3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
SMILESOCCCN(CCCO)c1ccc(N(CCCO)CCCO)cc1
InChIInChI=1S/C18H32N2O4/c21-13-1-9-19(10-2-14-22)17-5-7-18(8-6-17)20(11-3-15-23)12-4-16-24/h5-8,21-24H,1-4,9-16H2
InChIKeyGFQAAFGWALXKKK-UHFFFAOYSA-N
MW340.46 g/mol
LogP0.83
Rot. Bonds14

About 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol

3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol (PubChem CID 67533016) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
PubChem CID67533016
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
SMILESOCCCN(CCCO)c1ccc(N(CCCO)CCCO)cc1
InChIInChI=1S/C18H32N2O4/c21-13-1-9-19(10-2-14-22)17-5-7-18(8-6-17)20(11-3-15-23)12-4-16-24/h5-8,21-24H,1-4,9-16H2
InChIKeyGFQAAFGWALXKKK-UHFFFAOYSA-N
XLogP0.83
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol
CID 140636475
3-(N-propylanilino)propan-1-ol
CID 101291000
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
2-(4-aminophenyl)acetic acid;2-[4-[bis(3-hydroxypropyl)amino]phenyl]acetic acid;3-iodopropan-1-ol
CID 159794130
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol?
The IUPAC name of 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol (CID 67533016) is 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol.
What is the SMILES notation for 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol?
The canonical SMILES for 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol is OCCCN(CCCO)c1ccc(N(CCCO)CCCO)cc1.
What is the InChIKey of 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol?
The InChIKey is GFQAAFGWALXKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c21-13-1-9-19(10-2-14-22)17-5-7-18(8-6-17)20(11-3-15-23)12-4-16-24/h5-8,21-24H,1-4,9-16H2.
What are the key properties of 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol?
3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol has a molecular weight of 340.46 g/mol, XLogP of 0.83, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol is sourced from PubChem (CID 67533016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).