2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine

C19H20ClFN2O — CID 164910625

IUPAC2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine
SMILESCC1COc2c1cc(C(CN)C1CC1)nc2-c1cccc(F)c1Cl
InChIInChI=1S/C19H20ClFN2O/c1-10-9-24-19-13(10)7-16(14(8-22)11-5-6-11)23-18(19)12-3-2-4-15(21)17(12)20/h2-4,7,10-11,14H,5-6,8-9,22H2,1H3
InChIKeyGNJOMPXOAZWNIJ-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.49
Rot. Bonds4

About 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine

2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine (PubChem CID 164910625) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine.

Molecular Properties

Compound Name2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine
PubChem CID164910625
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine
SMILESCC1COc2c1cc(C(CN)C1CC1)nc2-c1cccc(F)c1Cl
InChIInChI=1S/C19H20ClFN2O/c1-10-9-24-19-13(10)7-16(14(8-22)11-5-6-11)23-18(19)12-3-2-4-15(21)17(12)20/h2-4,7,10-11,14H,5-6,8-9,22H2,1H3
InChIKeyGNJOMPXOAZWNIJ-UHFFFAOYSA-N
XLogP4.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Barucainide
CID 146795
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)-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
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
[5-(3,5-Difluorophenyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine
CID 67962481
[6-(2-Chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-3-pentan-3-yloxy-2-pyridinyl]methanamine
CID 69149902
[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]methanol
CID 117924208
7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-5-[2-(trifluoromethyl)oxiran-2-yl]-2H-furo[2,3-c]pyridine
CID 117924209
3-amino-2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 117924210

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine?
The IUPAC name of 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine (CID 164910625) is 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine.
What is the SMILES notation for 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine?
The canonical SMILES for 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine is CC1COc2c1cc(C(CN)C1CC1)nc2-c1cccc(F)c1Cl.
What is the InChIKey of 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine?
The InChIKey is GNJOMPXOAZWNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-10-9-24-19-13(10)7-16(14(8-22)11-5-6-11)23-18(19)12-3-2-4-15(21)17(12)20/h2-4,7,10-11,14H,5-6,8-9,22H2,1H3.
What are the key properties of 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine?
2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine has a molecular weight of 346.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethanamine is sourced from PubChem (CID 164910625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).