1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine

C13H19NO — CID 84673537

IUPAC1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine
SMILESCC(N)c1cccc2c1OC(C)(C)CC2
InChIInChI=1S/C13H19NO/c1-9(14)11-6-4-5-10-7-8-13(2,3)15-12(10)11/h4-6,9H,7-8,14H2,1-3H3
InChIKeyCNWKJCSIWXDTNG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds1

About 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine

1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine (PubChem CID 84673537) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine
PubChem CID84673537
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine
SMILESCC(N)c1cccc2c1OC(C)(C)CC2
InChIInChI=1S/C13H19NO/c1-9(14)11-6-4-5-10-7-8-13(2,3)15-12(10)11/h4-6,9H,7-8,14H2,1-3H3
InChIKeyCNWKJCSIWXDTNG-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698811
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-2-amine
CID 117313385
3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698810
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanoic acid
CID 117376381
2,2-dimethyl-6-phenyl-8-propan-2-yl-3,4-dihydrochromene
CID 45255973
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)cyclopropane-1-carboxylic acid
CID 117367979
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal
CID 117311200
1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine
CID 117335044
(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
CID 42129765
1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
CID 114746628
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine (CID 84673537) is 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine is CC(N)c1cccc2c1OC(C)(C)CC2.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine?
The InChIKey is CNWKJCSIWXDTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(14)11-6-4-5-10-7-8-13(2,3)15-12(10)11/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine?
1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)ethanamine is sourced from PubChem (CID 84673537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).