(4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C16H21N3O — CID 104946711

IUPAC(4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC(c1cncn1C(C)C)O2
InChIInChI=1S/C16H21N3O/c1-10(2)19-9-18-8-14(19)16-7-13(17)12-6-11(3)4-5-15(12)20-16/h4-6,8-10,13,16H,7,17H2,1-3H3/t13-,16?/m1/s1
InChIKeyZNEBVMDXYSBVFE-JBZHPUCOSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds2

About (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946711) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946711
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@H](N)CC(c1cncn1C(C)C)O2
InChIInChI=1S/C16H21N3O/c1-10(2)19-9-18-8-14(19)16-7-13(17)12-6-11(3)4-5-15(12)20-16/h4-6,8-10,13,16H,7,17H2,1-3H3/t13-,16?/m1/s1
InChIKeyZNEBVMDXYSBVFE-JBZHPUCOSA-N
XLogP3.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104946711) is (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)[C@H](N)CC(c1cncn1C(C)C)O2.
What is the InChIKey of (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZNEBVMDXYSBVFE-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)19-9-18-8-14(19)16-7-13(17)12-6-11(3)4-5-15(12)20-16/h4-6,8-10,13,16H,7,17H2,1-3H3/t13-,16?/m1/s1.
What are the key properties of (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).