(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine

C16H12ClFN2 — CID 64712789

IUPAC(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
SMILESNC(c1cnc2ccccc2c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFN2/c17-13-6-3-5-12(15(13)18)16(19)11-8-10-4-1-2-7-14(10)20-9-11/h1-9,16H,19H2
InChIKeyGZQXPYAHTTWQGH-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.08
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine

(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine (PubChem CID 64712789) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
PubChem CID64712789
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
SMILESNC(c1cnc2ccccc2c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFN2/c17-13-6-3-5-12(15(13)18)16(19)11-8-10-4-1-2-7-14(10)20-9-11/h1-9,16H,19H2
InChIKeyGZQXPYAHTTWQGH-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-quinolin-3-ylmethanol
CID 62099090
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
CID 115798580
(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine
CID 66424075
(4-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
(2,5-dibromophenyl)-quinolin-3-ylmethanamine
CID 115798842
[(2-chloro-4-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105215398
[(4-chloro-2-fluorophenyl)-quinolin-3-ylmethyl]hydrazine
CID 105217884
1-benzothiophen-3-yl(quinolin-3-yl)methanamine
CID 115797844
2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
CID 63022138
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
2,3-dihydro-1H-inden-5-yl(quinolin-3-yl)methanamine
CID 115798167
2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
CID 66054039

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine (CID 64712789) is (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine is NC(c1cnc2ccccc2c1)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine?
The InChIKey is GZQXPYAHTTWQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c17-13-6-3-5-12(15(13)18)16(19)11-8-10-4-1-2-7-14(10)20-9-11/h1-9,16H,19H2.
What are the key properties of (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine?
(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine has a molecular weight of 286.74 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine is sourced from PubChem (CID 64712789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).