2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile

C24H24N2O2 — CID 88683365

IUPAC2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile
SMILESN#CCN[C@@H](COCc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c25-15-16-26-24(19-27-17-20-7-3-1-4-8-20)22-11-13-23(14-12-22)28-18-21-9-5-2-6-10-21/h1-14,24,26H,16-19H2/t24-/m0/s1
InChIKeyVCXIKVLUQZTXJA-DEOSSOPVSA-N
MW372.47 g/mol
LogP4.64
Rot. Bonds10

About 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile

2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile (PubChem CID 88683365) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile
PubChem CID88683365
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile
SMILESN#CCN[C@@H](COCc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c25-15-16-26-24(19-27-17-20-7-3-1-4-8-20)22-11-13-23(14-12-22)28-18-21-9-5-2-6-10-21/h1-14,24,26H,16-19H2/t24-/m0/s1
InChIKeyVCXIKVLUQZTXJA-DEOSSOPVSA-N
XLogP4.64
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-(4-phenylmethoxyphenyl)-4-propoxybutanenitrile
CID 142968702
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
CID 142968538
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972
3-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]butanenitrile
CID 118954426
5-[(1-phenyl-2-phenylmethoxyethyl)amino]pyridine-2-carbonitrile
CID 133346332
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile?
The IUPAC name of 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile (CID 88683365) is 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile.
What is the SMILES notation for 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile?
The canonical SMILES for 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile is N#CCN[C@@H](COCc1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile?
The InChIKey is VCXIKVLUQZTXJA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N2O2/c25-15-16-26-24(19-27-17-20-7-3-1-4-8-20)22-11-13-23(14-12-22)28-18-21-9-5-2-6-10-21/h1-14,24,26H,16-19H2/t24-/m0/s1.
What are the key properties of 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile?
2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile has a molecular weight of 372.47 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile is sourced from PubChem (CID 88683365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).