2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

C18H21NO — CID 114709766

IUPAC2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)cc(C2CC(N)c3cc(C)ccc3O2)c1
InChIInChI=1S/C18H21NO/c1-11-4-5-17-15(9-11)16(19)10-18(20-17)14-7-12(2)6-13(3)8-14/h4-9,16,18H,10,19H2,1-3H3
InChIKeyBEAJGRZTWVNHEZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.14
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709766) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709766
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)cc(C2CC(N)c3cc(C)ccc3O2)c1
InChIInChI=1S/C18H21NO/c1-11-4-5-17-15(9-11)16(19)10-18(20-17)14-7-12(2)6-13(3)8-14/h4-9,16,18H,10,19H2,1-3H3
InChIKeyBEAJGRZTWVNHEZ-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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Related Compounds

6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709722
(4S)-2-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946403
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709587
6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709720
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
2-(4-bromo-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709782
(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946500
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114709766) is 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1cc(C)cc(C2CC(N)c3cc(C)ccc3O2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BEAJGRZTWVNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-4-5-17-15(9-11)16(19)10-18(20-17)14-7-12(2)6-13(3)8-14/h4-9,16,18H,10,19H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3,5-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-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).