1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine

C22H28F2N2 — CID 90917209

IUPAC1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
SMILESCCc1cc2c(cc1C(C)N)N(Cc1cccc(F)c1F)CCC2(C)C
InChIInChI=1S/C22H28F2N2/c1-5-15-11-18-20(12-17(15)14(2)25)26(10-9-22(18,3)4)13-16-7-6-8-19(23)21(16)24/h6-8,11-12,14H,5,9-10,13,25H2,1-4H3
InChIKeyFXYDJBZFFBIVNG-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.23
Rot. Bonds4

About 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine

1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine (PubChem CID 90917209) has the molecular formula C22H28F2N2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
PubChem CID90917209
Molecular FormulaC22H28F2N2
Molecular Weight358.48 g/mol
Exact Mass358.22
IUPAC Name1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine
SMILESCCc1cc2c(cc1C(C)N)N(Cc1cccc(F)c1F)CCC2(C)C
InChIInChI=1S/C22H28F2N2/c1-5-15-11-18-20(12-17(15)14(2)25)26(10-9-22(18,3)4)13-16-7-6-8-19(23)21(16)24/h6-8,11-12,14H,5,9-10,13,25H2,1-4H3
InChIKeyFXYDJBZFFBIVNG-UHFFFAOYSA-N
XLogP5.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
The IUPAC name of 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine (CID 90917209) is 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine is CCc1cc2c(cc1C(C)N)N(Cc1cccc(F)c1F)CCC2(C)C.
What is the InChIKey of 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
The InChIKey is FXYDJBZFFBIVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2/c1-5-15-11-18-20(12-17(15)14(2)25)26(10-9-22(18,3)4)13-16-7-6-8-19(23)21(16)24/h6-8,11-12,14H,5,9-10,13,25H2,1-4H3.
What are the key properties of 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine?
1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine has a molecular weight of 358.48 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-difluorophenyl)methyl]-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl]ethanamine is sourced from PubChem (CID 90917209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).