2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

C19H22N2O — CID 84817250

IUPAC2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)NC(C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-14(2)22-18-11-7-10-17(12-18)19(13-20)21-15(3)16-8-5-4-6-9-16/h4-12,14-15,19,21H,1-3H3
InChIKeyABUMOMXSUUVJNB-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.39
Rot. Bonds6

About 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (PubChem CID 84817250) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
PubChem CID84817250
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)NC(C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-14(2)22-18-11-7-10-17(12-18)19(13-20)21-15(3)16-8-5-4-6-9-16/h4-12,14-15,19,21H,1-3H3
InChIKeyABUMOMXSUUVJNB-UHFFFAOYSA-N
XLogP4.39
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 82020084
2-(2-bromoanilino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210570
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
2-(3-nitrophenyl)-2-(1-phenylethylamino)acetonitrile
CID 84817247
2-(3-ethoxy-4-hydroxyphenyl)-2-(1-phenylethylamino)acetonitrile
CID 84817235
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688
2-(propan-2-ylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104701
(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile
CID 10545906
(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
CID 94641410

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (CID 84817250) is 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is CC(C)Oc1cccc(C(C#N)NC(C)c2ccccc2)c1.
What is the InChIKey of 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is ABUMOMXSUUVJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(2)22-18-11-7-10-17(12-18)19(13-20)21-15(3)16-8-5-4-6-9-16/h4-12,14-15,19,21H,1-3H3.
What are the key properties of 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 294.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 84817250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).