2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine

C13H19NO — CID 82077188

IUPAC2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESCc1cc(C)c2c(c1)C(CCN)CCO2
InChIInChI=1S/C13H19NO/c1-9-7-10(2)13-12(8-9)11(3-5-14)4-6-15-13/h7-8,11H,3-6,14H2,1-2H3
InChIKeyHOJGLUWLIRMUIM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds2

About 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine

2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine (PubChem CID 82077188) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine
PubChem CID82077188
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESCc1cc(C)c2c(c1)C(CCN)CCO2
InChIInChI=1S/C13H19NO/c1-9-7-10(2)13-12(8-9)11(3-5-14)4-6-15-13/h7-8,11H,3-6,14H2,1-2H3
InChIKeyHOJGLUWLIRMUIM-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156
2-(3,5,7-trimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 84622720
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 131173128
6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461532
4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 82166349
4-bromo-8-chloro-6-methyl-3,4-dihydro-2H-chromene
CID 130787930
2-(8-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-yl)ethanamine
CID 82082839
8-bromo-4-(8-bromo-6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-methyl-3,4-dihydro-2H-chromene
CID 142711841
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The IUPAC name of 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine (CID 82077188) is 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine.
What is the SMILES notation for 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The canonical SMILES for 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine is Cc1cc(C)c2c(c1)C(CCN)CCO2.
What is the InChIKey of 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The InChIKey is HOJGLUWLIRMUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-7-10(2)13-12(8-9)11(3-5-14)4-6-15-13/h7-8,11H,3-6,14H2,1-2H3.
What are the key properties of 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine?
2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine is sourced from PubChem (CID 82077188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).