(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C17H19NO — CID 104946698

IUPAC(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc(C2C[C@@H](N)c3cc(C)ccc3O2)c1
InChIInChI=1S/C17H19NO/c1-11-4-3-5-13(8-11)17-10-15(18)14-9-12(2)6-7-16(14)19-17/h3-9,15,17H,10,18H2,1-2H3/t15-,17?/m1/s1
InChIKeyVIYORWFXJLBSJX-LDCVWXEPSA-N
MW253.34 g/mol
LogP3.83
Rot. Bonds1

About (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946698) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946698
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc(C2C[C@@H](N)c3cc(C)ccc3O2)c1
InChIInChI=1S/C17H19NO/c1-11-4-3-5-13(8-11)17-10-15(18)14-9-12(2)6-7-16(14)19-17/h3-9,15,17H,10,18H2,1-2H3/t15-,17?/m1/s1
InChIKeyVIYORWFXJLBSJX-LDCVWXEPSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104946698) is (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cccc(C2C[C@@H](N)c3cc(C)ccc3O2)c1.
What is the InChIKey of (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VIYORWFXJLBSJX-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-4-3-5-13(8-11)17-10-15(18)14-9-12(2)6-7-16(14)19-17/h3-9,15,17H,10,18H2,1-2H3/t15-,17?/m1/s1.
What are the key properties of (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 253.34 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).