(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile

C23H22N2O2 — CID 101059199

IUPAC(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
SMILESCOc1ccc(C(N[C@@H](C#N)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-26-20-12-8-18(9-13-20)23(19-10-14-21(27-2)15-11-19)25-22(16-24)17-6-4-3-5-7-17/h3-15,22-23,25H,1-2H3/t22-/m0/s1
InChIKeyKSZARMNWPNKWNH-QFIPXVFZSA-N
MW358.44 g/mol
LogP4.65
Rot. Bonds7

About (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile

(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile (PubChem CID 101059199) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
PubChem CID101059199
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
SMILESCOc1ccc(C(N[C@@H](C#N)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-26-20-12-8-18(9-13-20)23(19-10-14-21(27-2)15-11-19)25-22(16-24)17-6-4-3-5-7-17/h3-15,22-23,25H,1-2H3/t22-/m0/s1
InChIKeyKSZARMNWPNKWNH-QFIPXVFZSA-N
XLogP4.65
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine
CID 115972576
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(2S)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-(2-methylphenyl)acetonitrile;hydrochloride
CID 53467449
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile?
The IUPAC name of (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile (CID 101059199) is (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile is COc1ccc(C(N[C@@H](C#N)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile?
The InChIKey is KSZARMNWPNKWNH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-26-20-12-8-18(9-13-20)23(19-10-14-21(27-2)15-11-19)25-22(16-24)17-6-4-3-5-7-17/h3-15,22-23,25H,1-2H3/t22-/m0/s1.
What are the key properties of (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile?
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile has a molecular weight of 358.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile is sourced from PubChem (CID 101059199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).