1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine

C17H14ClFN2 — CID 105396938

IUPAC1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1cc(F)ccc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C17H14ClFN2/c1-20-17(14-10-11(19)6-7-15(14)18)13-8-9-21-16-5-3-2-4-12(13)16/h2-10,17,20H,1H3
InChIKeyYSBVDLRUKPGKDM-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.34
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine

1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine (PubChem CID 105396938) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
PubChem CID105396938
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1cc(F)ccc1Cl)c1ccnc2ccccc12
InChIInChI=1S/C17H14ClFN2/c1-20-17(14-10-11(19)6-7-15(14)18)13-8-9-21-16-5-3-2-4-12(13)16/h2-10,17,20H,1H3
InChIKeyYSBVDLRUKPGKDM-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105142364
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
[(4-fluorophenyl)-quinolin-4-ylmethyl]hydrazine
CID 105284020
(2,5-difluorophenyl)-quinolin-4-ylmethanol
CID 63893789
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(4-methoxyphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105095031
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine (CID 105396938) is 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine is CNC(c1cc(F)ccc1Cl)c1ccnc2ccccc12.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The InChIKey is YSBVDLRUKPGKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-20-17(14-10-11(19)6-7-15(14)18)13-8-9-21-16-5-3-2-4-12(13)16/h2-10,17,20H,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine has a molecular weight of 300.76 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine is sourced from PubChem (CID 105396938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).