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

C14H21NO — CID 104946373

IUPAC(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(C(C)(C)C)O2
InChIInChI=1S/C14H21NO/c1-9-5-6-12-10(7-9)11(15)8-13(16-12)14(2,3)4/h5-7,11,13H,8,15H2,1-4H3/t11-,13?/m0/s1
InChIKeyAUFCTHOZORAILY-AMGKYWFPSA-N
MW219.33 g/mol
LogP3.19
Rot. Bonds

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

(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946373) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946373
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(C(C)(C)C)O2
InChIInChI=1S/C14H21NO/c1-9-5-6-12-10(7-9)11(15)8-13(16-12)14(2,3)4/h5-7,11,13H,8,15H2,1-4H3/t11-,13?/m0/s1
InChIKeyAUFCTHOZORAILY-AMGKYWFPSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.19
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
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709605
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709722
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586
(4S)-2-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946403

Frequently Asked Questions

What is the IUPAC name of (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104946373) is (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)[C@@H](N)CC(C(C)(C)C)O2.
What is the InChIKey of (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AUFCTHOZORAILY-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-5-6-12-10(7-9)11(15)8-13(16-12)14(2,3)4/h5-7,11,13H,8,15H2,1-4H3/t11-,13?/m0/s1.
What are the key properties of (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).