1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine

C17H14F2N2 — CID 81227611

IUPAC1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1ccc2cccnc2c1
InChIInChI=1S/C17H14F2N2/c1-20-17(13-7-14(18)10-15(19)8-13)12-5-4-11-3-2-6-21-16(11)9-12/h2-10,17,20H,1H3
InChIKeyPVASXWJPKQREHI-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.82
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine

1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine (PubChem CID 81227611) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
PubChem CID81227611
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1ccc2cccnc2c1
InChIInChI=1S/C17H14F2N2/c1-20-17(13-7-14(18)10-15(19)8-13)12-5-4-11-3-2-6-21-16(11)9-12/h2-10,17,20H,1H3
InChIKeyPVASXWJPKQREHI-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227882
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021623
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210647
N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
CID 103516964
N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
CID 105021478
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021513
N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
CID 81224032
N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
CID 105172703

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine (CID 81227611) is 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine is CNC(c1cc(F)cc(F)c1)c1ccc2cccnc2c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The InChIKey is PVASXWJPKQREHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c1-20-17(13-7-14(18)10-15(19)8-13)12-5-4-11-3-2-6-21-16(11)9-12/h2-10,17,20H,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine?
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine has a molecular weight of 284.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 81227611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).