2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine

C17H14F2N2 — CID 81227602

IUPAC2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cccc2cccnc12
InChIInChI=1S/C17H14F2N2/c18-13-7-11(8-14(19)10-13)9-16(20)15-5-1-3-12-4-2-6-21-17(12)15/h1-8,10,16H,9,20H2
InChIKeyRMJHFOYLABCDHM-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.76
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine

2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine (PubChem CID 81227602) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
PubChem CID81227602
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cccc2cccnc12
InChIInChI=1S/C17H14F2N2/c18-13-7-11(8-14(19)10-13)9-16(20)15-5-1-3-12-4-2-6-21-17(12)15/h1-8,10,16H,9,20H2
InChIKeyRMJHFOYLABCDHM-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-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
1-quinolin-8-yl-2-thiophen-2-ylethanamine
CID 81231172
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
1-quinolin-8-ylbutan-1-amine
CID 79016206
1-quinolin-8-ylhexan-1-amine
CID 105021327
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
2-(3-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105169346

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine (CID 81227602) is 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine is NC(Cc1cc(F)cc(F)c1)c1cccc2cccnc12.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine?
The InChIKey is RMJHFOYLABCDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-13-7-11(8-14(19)10-13)9-16(20)15-5-1-3-12-4-2-6-21-17(12)15/h1-8,10,16H,9,20H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine?
2-(3,5-difluorophenyl)-1-quinolin-8-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-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine is sourced from PubChem (CID 81227602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).