2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine

C20H22ClFN2O — CID 164911123

IUPAC2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine
SMILESCNCC(c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC2C)C1CC1
InChIInChI=1S/C20H22ClFN2O/c1-11-10-25-20-14(11)8-18(15(9-23-2)12-3-4-12)24-19(20)13-5-6-17(22)16(21)7-13/h5-8,11-12,15,23H,3-4,9-10H2,1-2H3
InChIKeyLKNBFDYWFUFDNR-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.75
Rot. Bonds5

About 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine

2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine (PubChem CID 164911123) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine
PubChem CID164911123
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine
SMILESCNCC(c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC2C)C1CC1
InChIInChI=1S/C20H22ClFN2O/c1-11-10-25-20-14(11)8-18(15(9-23-2)12-3-4-12)24-19(20)13-5-6-17(22)16(21)7-13/h5-8,11-12,15,23H,3-4,9-10H2,1-2H3
InChIKeyLKNBFDYWFUFDNR-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine with MolForge

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Related Compounds

Barucainide
CID 146795
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, hydrochloride (1:2)
CID 198513
1-Propanamine, 3-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, dihdyrochloride
CID 3052106
1-Pentanamine, 5-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, dihydrochloride
CID 3052112
1-Pentanamine, 5-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-3-methyl-N-(1-methylethyl)-, dihydrochloride
CID 3052114
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-ethyl-,dihydrochloride
CID 3052118
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylpropyl)-, dihydrochloride
CID 3052120
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1,1-dimethylethyl)-, dihydrochloride
CID 3052122
4-[[1,3-Dihydro-6-methyl-4-benzylfuro[3,4-C]pyridin-7-YL]oxy]-N-isopropylbutylamine monohydrochloride
CID 146794
3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 3052107
5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine
CID 3052115
4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine
CID 3052123

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine?
The IUPAC name of 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine (CID 164911123) is 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine?
The canonical SMILES for 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine is CNCC(c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OCC2C)C1CC1.
What is the InChIKey of 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine?
The InChIKey is LKNBFDYWFUFDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-11-10-25-20-14(11)8-18(15(9-23-2)12-3-4-12)24-19(20)13-5-6-17(22)16(21)7-13/h5-8,11-12,15,23H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine?
2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine has a molecular weight of 360.86 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-chloro-4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 164911123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).