2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine

C17H14F2N2 — CID 82910390

IUPAC2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine
SMILESNC(Cc1ccc(F)c(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H14F2N2/c18-13-7-5-11(9-14(13)19)10-15(20)17-8-6-12-3-1-2-4-16(12)21-17/h1-9,15H,10,20H2
InChIKeyBYJHZBHDXHLPMJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.76
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine

2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine (PubChem CID 82910390) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine
PubChem CID82910390
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine
SMILESNC(Cc1ccc(F)c(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H14F2N2/c18-13-7-5-11(9-14(13)19)10-15(20)17-8-6-12-3-1-2-4-16(12)21-17/h1-9,15H,10,20H2
InChIKeyBYJHZBHDXHLPMJ-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-quinolin-2-ylethanamine
CID 63222850
2-(3,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 82923360
2-(3,4-difluorophenyl)-1-isoquinolin-1-ylethanamine
CID 82909646
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
2-(3,4-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477102
1-(1,3-benzothiazol-2-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105016124
2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
CID 63222511
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine (CID 82910390) is 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine is NC(Cc1ccc(F)c(F)c1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine?
The InChIKey is BYJHZBHDXHLPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-13-7-5-11(9-14(13)19)10-15(20)17-8-6-12-3-1-2-4-16(12)21-17/h1-9,15H,10,20H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine?
2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine has a molecular weight of 284.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine is sourced from PubChem (CID 82910390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).