(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile

C21H23N3O — CID 845730

IUPAC(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
SMILESCC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C21H23N3O/c1-13(2)14-5-7-15(8-6-14)20-17-10-9-16(24(3)4)11-19(17)25-21(23)18(20)12-22/h5-11,13,20H,23H2,1-4H3/t20-/m1/s1
InChIKeyBWKJCVKPZFMBIN-HXUWFJFHSA-N
MW333.44 g/mol
LogP4.09
Rot. Bonds3

About (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile

(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile (PubChem CID 845730) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
PubChem CID845730
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
SMILESCC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C21H23N3O/c1-13(2)14-5-7-15(8-6-14)20-17-10-9-16(24(3)4)11-19(17)25-21(23)18(20)12-22/h5-11,13,20H,23H2,1-4H3/t20-/m1/s1
InChIKeyBWKJCVKPZFMBIN-HXUWFJFHSA-N
XLogP4.09
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 2835001
2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 2844718
(4R)-2-amino-4-(3-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 51524563
(8R)-6-amino-8-(4-propan-2-ylphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 752469
(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 7304497
2-amino-7-(dimethylamino)-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
CID 10156667
(4R)-2-amino-4-(3-bromo-4-methoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 1379836
2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
CID 3113922
2-amino-4-(2,6-difluorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 16762776
[2-amino-3-cyano-4-(4-propan-2-ylphenyl)-4H-chromen-7-yl] benzoate
CID 19120705
2-amino-4-(3-bromo-5-methoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 11406913
[2-amino-3-cyano-4-(4-propan-2-ylphenyl)-4H-chromen-7-yl] 2-chlorobenzoate
CID 19120713

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile (CID 845730) is (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile is CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1.
What is the InChIKey of (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is BWKJCVKPZFMBIN-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13(2)14-5-7-15(8-6-14)20-17-10-9-16(24(3)4)11-19(17)25-21(23)18(20)12-22/h5-11,13,20H,23H2,1-4H3/t20-/m1/s1.
What are the key properties of (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 333.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 845730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).