2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine

C23H21ClF2N2O — CID 169233877

IUPAC2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)c1cc2c(c(-c3cc(Cl)c(F)cc3F)n1)OCC2C
InChIInChI=1S/C23H21ClF2N2O/c1-13-12-29-23-15(13)9-21(17(11-27-2)14-6-4-3-5-7-14)28-22(23)16-8-18(24)20(26)10-19(16)25/h3-10,13,17,27H,11-12H2,1-2H3
InChIKeyRFUVIEDNKLHSIO-UHFFFAOYSA-N
MW414.88 g/mol
LogP5.53
Rot. Bonds5

About 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine

2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine (PubChem CID 169233877) has the molecular formula C23H21ClF2N2O and a molecular weight of 414.88 g/mol. Its IUPAC name is 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine
PubChem CID169233877
Molecular FormulaC23H21ClF2N2O
Molecular Weight414.88 g/mol
Exact Mass414.13
IUPAC Name2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)c1cc2c(c(-c3cc(Cl)c(F)cc3F)n1)OCC2C
InChIInChI=1S/C23H21ClF2N2O/c1-13-12-29-23-15(13)9-21(17(11-27-2)14-6-4-3-5-7-14)28-22(23)16-8-18(24)20(26)10-19(16)25/h3-10,13,17,27H,11-12H2,1-2H3
InChIKeyRFUVIEDNKLHSIO-UHFFFAOYSA-N
XLogP5.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.88
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10221173, Example 78
CID 135343712
2-(4-Chloro-phenoxymethyl)-1-methyl-3-piperidin-1-ylmethyl-1H-indole
CID 10619067
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-ethyl-,dihydrochloride
CID 3052118
8-Chloro-5-[3-(4-fluorophenoxy)propyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 90680911
4-[[1,3-Dihydro-6-methyl-4-benzylfuro[3,4-C]pyridin-7-YL]oxy]-N-isopropylbutylamine monohydrochloride
CID 146794
5-(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-(methoxymethyl)-6-[4-(3,3,3-trifluoropropoxy)phenyl]pyridine-3-carbothioamide
CID 16038281
(6-Phenoxypyridin-2-yl)methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanimidate
CID 20571383
(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
CID 45377852
3-(3-chloro-4-fluorophenyl)-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine
CID 53756182
8-(3-Chloro-4-fluorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 57697548
6-[4-[4-[4-[(E)-but-1-enyl]cyclohexen-1-yl]-2-chloro-3-fluorophenyl]phenyl]-3-butoxy-2-fluoropyridine
CID 59256970
2-(5-chloro-2-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-1H-quinolin-4-amine
CID 67173222

Frequently Asked Questions

What is the IUPAC name of 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine?
The IUPAC name of 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine (CID 169233877) is 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine is CNCC(c1ccccc1)c1cc2c(c(-c3cc(Cl)c(F)cc3F)n1)OCC2C.
What is the InChIKey of 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine?
The InChIKey is RFUVIEDNKLHSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N2O/c1-13-12-29-23-15(13)9-21(17(11-27-2)14-6-4-3-5-7-14)28-22(23)16-8-18(24)20(26)10-19(16)25/h3-10,13,17,27H,11-12H2,1-2H3.
What are the key properties of 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine?
2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine has a molecular weight of 414.88 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(5-chloro-2,4-difluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 169233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).