2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile

C12H16N2O — CID 61005792

IUPAC2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCC(C)CNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C12H16N2O/c1-9(2)8-14-12(7-13)10-3-5-11(15)6-4-10/h3-6,9,12,14-15H,8H2,1-2H3
InChIKeyXQJMDSKCEWOHEW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.20
Rot. Bonds4

About 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile

2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile (PubChem CID 61005792) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
PubChem CID61005792
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
SMILESCC(C)CNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C12H16N2O/c1-9(2)8-14-12(7-13)10-3-5-11(15)6-4-10/h3-6,9,12,14-15H,8H2,1-2H3
InChIKeyXQJMDSKCEWOHEW-UHFFFAOYSA-N
XLogP2.20
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide
CID 84817888
2-(2-methylpropylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
CID 54887323
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile
CID 84817126
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887415
2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817722
2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887188
2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile
CID 84816546
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 68900127
2-(2,3-difluorophenyl)-2-(2-methylpropylamino)acetonitrile
CID 63669621
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile (CID 61005792) is 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile is CC(C)CNC(C#N)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile?
The InChIKey is XQJMDSKCEWOHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(2)8-14-12(7-13)10-3-5-11(15)6-4-10/h3-6,9,12,14-15H,8H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile?
2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile is sourced from PubChem (CID 61005792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).