2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline

C17H14ClFN2 — CID 103697091

IUPAC2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2cc(F)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C17H14ClFN2/c1-11-8-12(14-4-2-3-5-16(14)21-11)10-20-17-9-13(19)6-7-15(17)18/h2-9,20H,10H2,1H3
InChIKeySWLUHYLPYSFBJO-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.95
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline

2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline (PubChem CID 103697091) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
PubChem CID103697091
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2cc(F)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C17H14ClFN2/c1-11-8-12(14-4-2-3-5-16(14)21-11)10-20-17-9-13(19)6-7-15(17)18/h2-9,20H,10H2,1H3
InChIKeySWLUHYLPYSFBJO-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031822
2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233279
3,4-dichloro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233028
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818
4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031823
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
N-[(2-methylquinolin-4-yl)methyl]pyridin-3-amine
CID 79238376
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368696
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline (CID 103697091) is 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline is Cc1cc(CNc2cc(F)ccc2Cl)c2ccccc2n1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
The InChIKey is SWLUHYLPYSFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11-8-12(14-4-2-3-5-16(14)21-11)10-20-17-9-13(19)6-7-15(17)18/h2-9,20H,10H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline has a molecular weight of 300.76 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline is sourced from PubChem (CID 103697091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).