2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

C17H18N2O2 — CID 3441737

IUPAC2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)OC3=C2CCCC3)cc1
InChIInChI=1S/C17H18N2O2/c1-20-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)21-17(19)14(16)10-18/h6-9,16H,2-5,19H2,1H3
InChIKeyCMUQRIFKHJPOQO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.33
Rot. Bonds2

About 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (PubChem CID 3441737) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
PubChem CID3441737
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)OC3=C2CCCC3)cc1
InChIInChI=1S/C17H18N2O2/c1-20-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)21-17(19)14(16)10-18/h6-9,16H,2-5,19H2,1H3
InChIKeyCMUQRIFKHJPOQO-UHFFFAOYSA-N
XLogP3.33
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 762846
2-amino-4-(4-methoxyphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 5242125
(4S)-2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 792484
(4S)-2-amino-4-(3,5-dimethoxyphenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 722101
(4S)-2-amino-4-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 903650
(4R)-2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4,5-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1220782
2-amino-4-(4-cyanophenyl)-8-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 23659851
(4R)-2-amino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1266308
(8E)-2-amino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 5470908
2-amino-4-(4-methoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2737891
(4R,7R)-2-amino-4-(4-methoxyphenyl)-7-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1212403
6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CID 3441737) is 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)OC3=C2CCCC3)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The InChIKey is CMUQRIFKHJPOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-20-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)21-17(19)14(16)10-18/h6-9,16H,2-5,19H2,1H3.
What are the key properties of 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is sourced from PubChem (CID 3441737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).