(1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine

C20H19ClF2N2 — CID 8710678

IUPAC(1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCc1ccc2cc(CN[C@H](C)c3ccc(F)c(F)c3)c(Cl)nc2c1C
InChIInChI=1S/C20H19ClF2N2/c1-11-4-5-15-8-16(20(21)25-19(15)12(11)2)10-24-13(3)14-6-7-17(22)18(23)9-14/h4-9,13,24H,10H2,1-3H3/t13-/m1/s1
InChIKeyVVQOEAMZIQHXHL-CYBMUJFWSA-N
MW360.84 g/mol
LogP5.63
Rot. Bonds4

About (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine

(1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine (PubChem CID 8710678) has the molecular formula C20H19ClF2N2 and a molecular weight of 360.84 g/mol. Its IUPAC name is (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
PubChem CID8710678
Molecular FormulaC20H19ClF2N2
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCc1ccc2cc(CN[C@H](C)c3ccc(F)c(F)c3)c(Cl)nc2c1C
InChIInChI=1S/C20H19ClF2N2/c1-11-4-5-15-8-16(20(21)25-19(15)12(11)2)10-24-13(3)14-6-7-17(22)18(23)9-14/h4-9,13,24H,10H2,1-3H3/t13-/m1/s1
InChIKeyVVQOEAMZIQHXHL-CYBMUJFWSA-N
XLogP5.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
CID 81301146
N-[1-(3,4-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 113350434
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881
2-chloro-7-fluoro-8-methyl-3-propylquinoline
CID 63530367
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81352293
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43223863
1-(3,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 60694808
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine (CID 8710678) is (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine is Cc1ccc2cc(CN[C@H](C)c3ccc(F)c(F)c3)c(Cl)nc2c1C.
What is the InChIKey of (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is VVQOEAMZIQHXHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19ClF2N2/c1-11-4-5-15-8-16(20(21)25-19(15)12(11)2)10-24-13(3)14-6-7-17(22)18(23)9-14/h4-9,13,24H,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine?
(1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine has a molecular weight of 360.84 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 8710678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).