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

C18H21NO — CID 114709598

IUPAC2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1cccc(C)c1C)O2
InChIInChI=1S/C18H21NO/c1-11-7-8-17-15(9-11)16(19)10-18(20-17)14-6-4-5-12(2)13(14)3/h4-9,16,18H,10,19H2,1-3H3
InChIKeyWRMJXEFDQJCCMZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.14
Rot. Bonds1

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

2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709598) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709598
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1cccc(C)c1C)O2
InChIInChI=1S/C18H21NO/c1-11-7-8-17-15(9-11)16(19)10-18(20-17)14-6-4-5-12(2)13(14)3/h4-9,16,18H,10,19H2,1-3H3
InChIKeyWRMJXEFDQJCCMZ-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114709598) is 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)C(N)CC(c1cccc(C)c1C)O2.
What is the InChIKey of 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WRMJXEFDQJCCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-7-8-17-15(9-11)16(19)10-18(20-17)14-6-4-5-12(2)13(14)3/h4-9,16,18H,10,19H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 267.37 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).