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

C17H14F2N2 — CID 104997384

IUPAC1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1cccc(F)c1F
InChIInChI=1S/C17H14F2N2/c18-14-6-3-5-13(17(14)19)15(20)10-11-8-9-21-16-7-2-1-4-12(11)16/h1-9,15H,10,20H2
InChIKeyHTXVBDDDGWRYCS-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.76
Rot. Bonds3

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

1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine (PubChem CID 104997384) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
PubChem CID104997384
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
SMILESNC(Cc1ccnc2ccccc12)c1cccc(F)c1F
InChIInChI=1S/C17H14F2N2/c18-14-6-3-5-13(17(14)19)15(20)10-11-8-9-21-16-7-2-1-4-12(11)16/h1-9,15H,10,20H2
InChIKeyHTXVBDDDGWRYCS-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

1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
2-(2,3-difluorophenyl)-1-naphthalen-1-ylethanamine
CID 62715879
1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997403
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
CID 105136391
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine (CID 104997384) is 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine is NC(Cc1ccnc2ccccc12)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine?
The InChIKey is HTXVBDDDGWRYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-14-6-3-5-13(17(14)19)15(20)10-11-8-9-21-16-7-2-1-4-12(11)16/h1-9,15H,10,20H2.
What are the key properties of 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine?
1-(2,3-difluorophenyl)-2-quinolin-4-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 1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).