2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile

C20H21N3O2 — CID 2844716

IUPAC2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCCOc1ccccc1C1C(C#N)=C(N)Oc2cc(N(C)C)ccc21
InChIInChI=1S/C20H21N3O2/c1-4-24-17-8-6-5-7-14(17)19-15-10-9-13(23(2)3)11-18(15)25-20(22)16(19)12-21/h5-11,19H,4,22H2,1-3H3
InChIKeyKJDUDNAIMFWPEI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds4

About 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 2844716) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID2844716
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCCOc1ccccc1C1C(C#N)=C(N)Oc2cc(N(C)C)ccc21
InChIInChI=1S/C20H21N3O2/c1-4-24-17-8-6-5-7-14(17)19-15-10-9-13(23(2)3)11-18(15)25-20(22)16(19)12-21/h5-11,19H,4,22H2,1-3H3
InChIKeyKJDUDNAIMFWPEI-UHFFFAOYSA-N
XLogP3.37
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile (CID 2844716) is 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile is CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(N(C)C)ccc21.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is KJDUDNAIMFWPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-4-24-17-8-6-5-7-14(17)19-15-10-9-13(23(2)3)11-18(15)25-20(22)16(19)12-21/h5-11,19H,4,22H2,1-3H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(dimethylamino)-4-(2-ethoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2844716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).