N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine

C12H15F2NO — CID 82236018

IUPACN-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1c2ccc(F)c(F)c2OCC1C
InChIInChI=1S/C12H15F2NO/c1-3-15-11-7(2)6-16-12-8(11)4-5-9(13)10(12)14/h4-5,7,11,15H,3,6H2,1-2H3
InChIKeyDPEZPZRVUBKTGU-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.64
Rot. Bonds2

About N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine

N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82236018) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82236018
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1c2ccc(F)c(F)c2OCC1C
InChIInChI=1S/C12H15F2NO/c1-3-15-11-7(2)6-16-12-8(11)4-5-9(13)10(12)14/h4-5,7,11,15H,3,6H2,1-2H3
InChIKeyDPEZPZRVUBKTGU-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234776
6-bromo-N-ethyl-8-fluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537674
N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049623
methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate
CID 165462889
N-ethyl-3-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]chromen-4-amine
CID 43537687
7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537588
N,2-diethyl-4,7-difluoro-2,3-dihydro-1-benzofuran-3-amine
CID 64660615
7-chloro-N-ethyl-9-fluoro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114863043
6-chloro-N-ethyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 79982964
N-[2-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523924
N-ethyl-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990299
(2R,3R,4R)-4-(2-ethyl-3,4-difluorophenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane
CID 175984824

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 82236018) is N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine is CCNC1c2ccc(F)c(F)c2OCC1C.
What is the InChIKey of N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DPEZPZRVUBKTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-15-11-7(2)6-16-12-8(11)4-5-9(13)10(12)14/h4-5,7,11,15H,3,6H2,1-2H3.
What are the key properties of N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 227.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82236018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).