2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile

C17H18N2O — CID 91606130

IUPAC2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile
SMILESCOCCc1c(N)ccc(CC#N)c1-c1ccccc1
InChIInChI=1S/C17H18N2O/c1-20-12-10-15-16(19)8-7-14(9-11-18)17(15)13-5-3-2-4-6-13/h2-8H,9-10,12,19H2,1H3
InChIKeyIRYIYGXQYCFUTC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.19
Rot. Bonds5

About 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile

2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile (PubChem CID 91606130) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile
PubChem CID91606130
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile
SMILESCOCCc1c(N)ccc(CC#N)c1-c1ccccc1
InChIInChI=1S/C17H18N2O/c1-20-12-10-15-16(19)8-7-14(9-11-18)17(15)13-5-3-2-4-6-13/h2-8H,9-10,12,19H2,1H3
InChIKeyIRYIYGXQYCFUTC-UHFFFAOYSA-N
XLogP3.19
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile?
The IUPAC name of 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile (CID 91606130) is 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile?
The canonical SMILES for 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile is COCCc1c(N)ccc(CC#N)c1-c1ccccc1.
What is the InChIKey of 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile?
The InChIKey is IRYIYGXQYCFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-12-10-15-16(19)8-7-14(9-11-18)17(15)13-5-3-2-4-6-13/h2-8H,9-10,12,19H2,1H3.
What are the key properties of 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile?
2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile is sourced from PubChem (CID 91606130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).