2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine

C12H14F3NO2 — CID 68595948

IUPAC2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(N)c2ccc(OC(F)(F)F)cc2O1
InChIInChI=1S/C12H14F3NO2/c1-11(2)6-9(16)8-4-3-7(5-10(8)18-11)17-12(13,14)15/h3-5,9H,6,16H2,1-2H3
InChIKeyORZHLNCYRPTHNK-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.15
Rot. Bonds1

About 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine

2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine (PubChem CID 68595948) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine
PubChem CID68595948
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(N)c2ccc(OC(F)(F)F)cc2O1
InChIInChI=1S/C12H14F3NO2/c1-11(2)6-9(16)8-4-3-7(5-10(8)18-11)17-12(13,14)15/h3-5,9H,6,16H2,1-2H3
InChIKeyORZHLNCYRPTHNK-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
[2,2-dimethyl-7-[3-(trifluoromethoxy)phenyl]-3,4-dihydrochromen-4-yl] carbamate
CID 175253933
2,2-dimethyl-7-[(1-methyltriazol-4-yl)methoxy]-3,4-dihydrochromen-4-amine
CID 107041315
(4R)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine
CID 42220652
2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 162328196
6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696862
(4S)-6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 42220642
ethyl 1-[(2R,4R)-4-amino-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]cyclopropane-1-carboxylate
CID 138596918
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079
(4R)-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844836

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine (CID 68595948) is 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine is CC1(C)CC(N)c2ccc(OC(F)(F)F)cc2O1.
What is the InChIKey of 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine?
The InChIKey is ORZHLNCYRPTHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2)6-9(16)8-4-3-7(5-10(8)18-11)17-12(13,14)15/h3-5,9H,6,16H2,1-2H3.
What are the key properties of 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine?
2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine has a molecular weight of 261.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 68595948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).