2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile

C17H24N2O2 — CID 62301181

IUPAC2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(NCC(O)COC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c18-11-10-14-6-8-15(9-7-14)19-12-16(20)13-21-17-4-2-1-3-5-17/h6-9,16-17,19-20H,1-5,10,12-13H2
InChIKeyIMEBFXMVIINREO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile

2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile (PubChem CID 62301181) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile
PubChem CID62301181
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(NCC(O)COC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c18-11-10-14-6-8-15(9-7-14)19-12-16(20)13-21-17-4-2-1-3-5-17/h6-9,16-17,19-20H,1-5,10,12-13H2
InChIKeyIMEBFXMVIINREO-UHFFFAOYSA-N
XLogP2.87
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-ethoxy-2-hydroxypropyl)amino]phenyl]acetonitrile
CID 63934283
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
CID 60896826
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile (CID 62301181) is 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile is N#CCc1ccc(NCC(O)COC2CCCCC2)cc1.
What is the InChIKey of 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile?
The InChIKey is IMEBFXMVIINREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-11-10-14-6-8-15(9-7-14)19-12-16(20)13-21-17-4-2-1-3-5-17/h6-9,16-17,19-20H,1-5,10,12-13H2.
What are the key properties of 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile?
2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 62301181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).