1-[anilino(2-hydroxypropyl)amino]propan-2-ol

C12H20N2O2 — CID 118924371

IUPAC1-[anilino(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)Nc1ccccc1
InChIInChI=1S/C12H20N2O2/c1-10(15)8-14(9-11(2)16)13-12-6-4-3-5-7-12/h3-7,10-11,13,15-16H,8-9H2,1-2H3
InChIKeyGPNDIDKAVQJCIZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.08
Rot. Bonds6

About 1-[anilino(2-hydroxypropyl)amino]propan-2-ol

1-[anilino(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 118924371) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[anilino(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[anilino(2-hydroxypropyl)amino]propan-2-ol
PubChem CID118924371
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[anilino(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CC(C)O)Nc1ccccc1
InChIInChI=1S/C12H20N2O2/c1-10(15)8-14(9-11(2)16)13-12-6-4-3-5-7-12/h3-7,10-11,13,15-16H,8-9H2,1-2H3
InChIKeyGPNDIDKAVQJCIZ-UHFFFAOYSA-N
XLogP1.08
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-anilino-N-(2-hydroxypropyl)anilino]propan-2-ol
CID 71372983
aniline;1-[bis(2-hydroxypropyl)amino]propan-2-ol
CID 174960687
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
2-phenyl-1,1-dipropylhydrazine
CID 14228134
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
3-[anilino(ethyl)amino]propan-1-ol
CID 161006671
2-[2-anilinopropyl(methyl)amino]ethanol
CID 10954782
N-anilino-N-ethylhydroxylamine
CID 54381166
3-[(2-anilino-2-oxoethyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82326580
1,1-dihydroxy-2-phenylhydrazine
CID 154285803
1-anilinoethanol;hydrate
CID 173450384
1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride
CID 158056719

Frequently Asked Questions

What is the IUPAC name of 1-[anilino(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[anilino(2-hydroxypropyl)amino]propan-2-ol (CID 118924371) is 1-[anilino(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[anilino(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[anilino(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CC(C)O)Nc1ccccc1.
What is the InChIKey of 1-[anilino(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is GPNDIDKAVQJCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(15)8-14(9-11(2)16)13-12-6-4-3-5-7-12/h3-7,10-11,13,15-16H,8-9H2,1-2H3.
What are the key properties of 1-[anilino(2-hydroxypropyl)amino]propan-2-ol?
1-[anilino(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[anilino(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 118924371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).