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

C18H21NO — CID 104946448

IUPAC(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@H](N)c3cc(C)ccc3O2)c(C)c1
InChIInChI=1S/C18H21NO/c1-11-4-6-14(13(3)8-11)18-10-16(19)15-9-12(2)5-7-17(15)20-18/h4-9,16,18H,10,19H2,1-3H3/t16-,18?/m0/s1
InChIKeyMCDONKXOSZHUIO-ATNAJCNCSA-N
MW267.37 g/mol
LogP4.14
Rot. Bonds1

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

(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946448) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946448
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@H](N)c3cc(C)ccc3O2)c(C)c1
InChIInChI=1S/C18H21NO/c1-11-4-6-14(13(3)8-11)18-10-16(19)15-9-12(2)5-7-17(15)20-18/h4-9,16,18H,10,19H2,1-3H3/t16-,18?/m0/s1
InChIKeyMCDONKXOSZHUIO-ATNAJCNCSA-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

2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
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
(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946447
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(4R)-2-(4-chloro-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104980344
(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946460
2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709722
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946486

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104946448) is (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C2C[C@H](N)c3cc(C)ccc3O2)c(C)c1.
What is the InChIKey of (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MCDONKXOSZHUIO-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-4-6-14(13(3)8-11)18-10-16(19)15-9-12(2)5-7-17(15)20-18/h4-9,16,18H,10,19H2,1-3H3/t16-,18?/m0/s1.
What are the key properties of (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2,4-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 (4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).