3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile

C17H18N2O — CID 43791627

IUPAC3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
SMILESCC(NC(C)c1cccc(C#N)c1)c1cccc(O)c1
InChIInChI=1S/C17H18N2O/c1-12(15-6-3-5-14(9-15)11-18)19-13(2)16-7-4-8-17(20)10-16/h3-10,12-13,19-20H,1-2H3
InChIKeyBARYYDRUGUWIAE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.68
Rot. Bonds4

About 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile

3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile (PubChem CID 43791627) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
PubChem CID43791627
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile
SMILESCC(NC(C)c1cccc(C#N)c1)c1cccc(O)c1
InChIInChI=1S/C17H18N2O/c1-12(15-6-3-5-14(9-15)11-18)19-13(2)16-7-4-8-17(20)10-16/h3-10,12-13,19-20H,1-2H3
InChIKeyBARYYDRUGUWIAE-UHFFFAOYSA-N
XLogP3.68
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
3-[1-[[(1R)-1-(3-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81382624
3-[1-(4-methylpentan-2-ylamino)ethyl]benzonitrile
CID 43775771
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]benzonitrile
CID 81367263
3-(1-hydrazinylethyl)benzonitrile
CID 63990931
3-[1-(3-methylpentan-2-ylamino)ethyl]benzonitrile
CID 54950155
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile?
The IUPAC name of 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile (CID 43791627) is 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile?
The canonical SMILES for 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile is CC(NC(C)c1cccc(C#N)c1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile?
The InChIKey is BARYYDRUGUWIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(15-6-3-5-14(9-15)11-18)19-13(2)16-7-4-8-17(20)10-16/h3-10,12-13,19-20H,1-2H3.
What are the key properties of 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile?
3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(3-hydroxyphenyl)ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 43791627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).