aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol

C15H28N2O3 — CID 174960687

IUPACaniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)CC(C)O.Nc1ccccc1
InChIInChI=1S/C9H21NO3.C6H7N/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-6-4-2-1-3-5-6/h7-9,11-13H,4-6H2,1-3H3;1-5H,7H2
InChIKeyAGEWCAYTZKYUAR-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.70
Rot. Bonds6

About aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol

aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 174960687) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Nameaniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol
PubChem CID174960687
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameaniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)CC(C)O.Nc1ccccc1
InChIInChI=1S/C9H21NO3.C6H7N/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-6-4-2-1-3-5-6/h7-9,11-13H,4-6H2,1-3H3;1-5H,7H2
InChIKeyAGEWCAYTZKYUAR-UHFFFAOYSA-N
XLogP0.70
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

aniline;ethane;2-methylpropane
CID 158321840
aniline;N,N-dimethylmethanamine;hydrobromide
CID 173156030
aniline;propan-2-amine
CID 142091845
aniline;methanol
CID 140536335
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
1-[anilino(2-hydroxypropyl)amino]propan-2-ol
CID 118924371
aniline;ethanol
CID 22137766
aniline;benzene;ethane;iodomethane
CID 161231070
aniline;carbanide;ethane;yttrium
CID 160556611
(2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate
CID 139042475
aniline;ethane;2-methylprop-1-ene
CID 123218647

Frequently Asked Questions

What is the IUPAC name of aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol (CID 174960687) is aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CC(C)O)CC(C)O.Nc1ccccc1.
What is the InChIKey of aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is AGEWCAYTZKYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3.C6H7N/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-6-4-2-1-3-5-6/h7-9,11-13H,4-6H2,1-3H3;1-5H,7H2.
What are the key properties of aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol?
aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 174960687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).