(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile

C20H18N2O — CID 177499858

IUPAC(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile
SMILESCc1ccccc1C(N[C@H](C#N)c1ccco1)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-8-5-6-11-17(15)20(16-9-3-2-4-10-16)22-18(14-21)19-12-7-13-23-19/h2-13,18,20,22H,1H3/t18-,20?/m1/s1
InChIKeyQUTQNGVOHLWVGJ-QSVWIEALSA-N
MW302.38 g/mol
LogP4.53
Rot. Bonds5

About (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile

(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile (PubChem CID 177499858) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile
PubChem CID177499858
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile
SMILESCc1ccccc1C(N[C@H](C#N)c1ccco1)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-8-5-6-11-17(15)20(16-9-3-2-4-10-16)22-18(14-21)19-12-7-13-23-19/h2-13,18,20,22H,1H3/t18-,20?/m1/s1
InChIKeyQUTQNGVOHLWVGJ-QSVWIEALSA-N
XLogP4.53
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzhydrylamino)-2-(furan-2-yl)acetonitrile
CID 11818553
2-methyl-3-[[(2-methylphenyl)-phenylmethyl]amino]propanenitrile
CID 79471754
2-(furan-2-yl)-2-(iodoamino)acetonitrile
CID 146552435
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
CID 59412400
4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
CID 62809842
N-benzyl-1-phenylmethanamine;2-[bis(2-methylphenyl)methyl]furan
CID 70565879
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile?
The IUPAC name of (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile (CID 177499858) is (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile.
What is the SMILES notation for (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile?
The canonical SMILES for (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile is Cc1ccccc1C(N[C@H](C#N)c1ccco1)c1ccccc1.
What is the InChIKey of (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile?
The InChIKey is QUTQNGVOHLWVGJ-QSVWIEALSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-8-5-6-11-17(15)20(16-9-3-2-4-10-16)22-18(14-21)19-12-7-13-23-19/h2-13,18,20,22H,1H3/t18-,20?/m1/s1.
What are the key properties of (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile?
(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile has a molecular weight of 302.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile is sourced from PubChem (CID 177499858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).