2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile

C16H24N2O2 — CID 43288624

IUPAC2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile
SMILESCCCN(CCC)CC(O)COc1ccccc1C#N
InChIInChI=1S/C16H24N2O2/c1-3-9-18(10-4-2)12-15(19)13-20-16-8-6-5-7-14(16)11-17/h5-8,15,19H,3-4,9-10,12-13H2,1-2H3
InChIKeyPSJAMCJKZQNWQE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds9

About 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile

2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile (PubChem CID 43288624) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile.

Molecular Properties

Compound Name2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile
PubChem CID43288624
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile
SMILESCCCN(CCC)CC(O)COc1ccccc1C#N
InChIInChI=1S/C16H24N2O2/c1-3-9-18(10-4-2)12-15(19)13-20-16-8-6-5-7-14(16)11-17/h5-8,15,19H,3-4,9-10,12-13H2,1-2H3
InChIKeyPSJAMCJKZQNWQE-UHFFFAOYSA-N
XLogP2.42
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(diethylamino)ethylamino]-2-hydroxypropoxy]benzonitrile
CID 60896612
2-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]benzonitrile
CID 154193939
2-[3-[cyclobutylmethyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 62861669
2-[2-hydroxy-3-[methyl(oxan-4-yl)amino]propoxy]benzonitrile
CID 43611126
2-(2-methylpentoxy)benzonitrile
CID 62265352
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
CID 66170152
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
2-[2-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]propoxy]benzonitrile
CID 107152676
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 61222956
2-[3-(2,2-difluoroethylamino)-2-hydroxypropoxy]benzonitrile
CID 113303744

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile?
The IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile (CID 43288624) is 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile.
What is the SMILES notation for 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile?
The canonical SMILES for 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile is CCCN(CCC)CC(O)COc1ccccc1C#N.
What is the InChIKey of 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile?
The InChIKey is PSJAMCJKZQNWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-18(10-4-2)12-15(19)13-20-16-8-6-5-7-14(16)11-17/h5-8,15,19H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile?
2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile has a molecular weight of 276.38 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile is sourced from PubChem (CID 43288624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).