2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

C19H22N2O — CID 82020084

IUPAC2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)NCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-15(2)22-18-10-6-9-17(13-18)19(14-20)21-12-11-16-7-4-3-5-8-16/h3-10,13,15,19,21H,11-12H2,1-2H3
InChIKeyNLTFBOINLILYPG-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.87
Rot. Bonds7

About 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (PubChem CID 82020084) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
PubChem CID82020084
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)NCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-15(2)22-18-10-6-9-17(13-18)19(14-20)21-12-11-16-7-4-3-5-8-16/h3-10,13,15,19,21H,11-12H2,1-2H3
InChIKeyNLTFBOINLILYPG-UHFFFAOYSA-N
XLogP3.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 84817250
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762
2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile
CID 84816546
2-(3-hydroxypropylamino)-2-(3-phenoxyphenyl)acetonitrile
CID 62585886
2-(3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 112500762
[3-phenyl-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 105205731
2-(2-bromoanilino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210570
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
2-(1,3-benzodioxol-5-yl)-2-(2-phenylethylamino)acetonitrile
CID 82020032

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (CID 82020084) is 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is CC(C)Oc1cccc(C(C#N)NCCc2ccccc2)c1.
What is the InChIKey of 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is NLTFBOINLILYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15(2)22-18-10-6-9-17(13-18)19(14-20)21-12-11-16-7-4-3-5-8-16/h3-10,13,15,19,21H,11-12H2,1-2H3.
What are the key properties of 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 294.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 82020084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).