2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

C19H17N3O — CID 668740

IUPAC2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(N)c(C#N)c2c1CCCC2
InChIInChI=1S/C19H17N3O/c1-23-17-9-5-4-8-14(17)18-13-7-3-2-6-12(13)15(10-20)19(22)16(18)11-21/h4-5,8-9H,2-3,6-7,22H2,1H3
InChIKeyHOSIEJWOHDDCRL-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.57
Rot. Bonds2

About 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (PubChem CID 668740) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
PubChem CID668740
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(N)c(C#N)c2c1CCCC2
InChIInChI=1S/C19H17N3O/c1-23-17-9-5-4-8-14(17)18-13-7-3-2-6-12(13)15(10-20)19(22)16(18)11-21/h4-5,8-9H,2-3,6-7,22H2,1H3
InChIKeyHOSIEJWOHDDCRL-UHFFFAOYSA-N
XLogP3.57
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (CID 668740) is 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is COc1ccccc1-c1c(C#N)c(N)c(C#N)c2c1CCCC2.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The InChIKey is HOSIEJWOHDDCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-17-9-5-4-8-14(17)18-13-7-3-2-6-12(13)15(10-20)19(22)16(18)11-21/h4-5,8-9H,2-3,6-7,22H2,1H3.
What are the key properties of 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile has a molecular weight of 303.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is sourced from PubChem (CID 668740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).