(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine

C16H12ClFN2 — CID 81231315

IUPAC(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1cccc2ncccc12
InChIInChI=1S/C16H12ClFN2/c17-13-9-10(6-7-14(13)18)16(19)12-3-1-5-15-11(12)4-2-8-20-15/h1-9,16H,19H2
InChIKeyVNZPIDDXBAFZCH-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.08
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine

(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine (PubChem CID 81231315) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
PubChem CID81231315
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1cccc2ncccc12
InChIInChI=1S/C16H12ClFN2/c17-13-9-10(6-7-14(13)18)16(19)12-3-1-5-15-11(12)4-2-8-20-15/h1-9,16H,19H2
InChIKeyVNZPIDDXBAFZCH-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

(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105164518
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084
(5-fluoro-3-pyridinyl)-quinolin-5-ylmethanamine
CID 105102211
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
CID 105020144
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
[(2,4-dichlorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326912

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine (CID 81231315) is (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine is NC(c1ccc(F)c(Cl)c1)c1cccc2ncccc12.
What is the InChIKey of (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine?
The InChIKey is VNZPIDDXBAFZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c17-13-9-10(6-7-14(13)18)16(19)12-3-1-5-15-11(12)4-2-8-20-15/h1-9,16H,19H2.
What are the key properties of (3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine?
(3-chloro-4-fluorophenyl)-quinolin-5-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-4-fluorophenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 81231315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).