2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile

C16H22N2O2 — CID 60896826

IUPAC2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
SMILESN#Cc1ccccc1NCC(O)COC1CCCCC1
InChIInChI=1S/C16H22N2O2/c17-10-13-6-4-5-9-16(13)18-11-14(19)12-20-15-7-2-1-3-8-15/h4-6,9,14-15,18-19H,1-3,7-8,11-12H2
InChIKeyAIZJSJSUVNKRDM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.68
Rot. Bonds6

About 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile

2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile (PubChem CID 60896826) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
PubChem CID60896826
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
SMILESN#Cc1ccccc1NCC(O)COC1CCCCC1
InChIInChI=1S/C16H22N2O2/c17-10-13-6-4-5-9-16(13)18-11-14(19)12-20-15-7-2-1-3-8-15/h4-6,9,14-15,18-19H,1-3,7-8,11-12H2
InChIKeyAIZJSJSUVNKRDM-UHFFFAOYSA-N
XLogP2.68
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile
CID 62301181
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60899171
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]benzonitrile
CID 60918103
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile?
The IUPAC name of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile (CID 60896826) is 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile.
What is the SMILES notation for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile?
The canonical SMILES for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile is N#Cc1ccccc1NCC(O)COC1CCCCC1.
What is the InChIKey of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile?
The InChIKey is AIZJSJSUVNKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-10-13-6-4-5-9-16(13)18-11-14(19)12-20-15-7-2-1-3-8-15/h4-6,9,14-15,18-19H,1-3,7-8,11-12H2.
What are the key properties of 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile?
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile is sourced from PubChem (CID 60896826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).