3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile

C14H20N2O — CID 113322888

IUPAC3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2O/c1-3-13(8-9-15)16-11(2)10-12-4-6-14(17)7-5-12/h4-7,11,13,16-17H,3,8,10H2,1-2H3
InChIKeyCBUMJLVCDPWFPK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.61
Rot. Bonds6

About 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile

3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile (PubChem CID 113322888) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
PubChem CID113322888
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2O/c1-3-13(8-9-15)16-11(2)10-12-4-6-14(17)7-5-12/h4-7,11,13,16-17H,3,8,10H2,1-2H3
InChIKeyCBUMJLVCDPWFPK-UHFFFAOYSA-N
XLogP2.61
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile 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

3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 55142071
3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]pentanenitrile
CID 62647467
3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 114829727
N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 103910959
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
3-[1-(4-ethylphenyl)propylamino]pentanenitrile
CID 62648007
4-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]propyl]phenol
CID 115494195
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile?
The IUPAC name of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile (CID 113322888) is 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile is CCC(CC#N)NC(C)Cc1ccc(O)cc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile?
The InChIKey is CBUMJLVCDPWFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-13(8-9-15)16-11(2)10-12-4-6-14(17)7-5-12/h4-7,11,13,16-17H,3,8,10H2,1-2H3.
What are the key properties of 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile?
3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile is sourced from PubChem (CID 113322888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).