1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine

C16H16F2N2 — CID 114930465

IUPAC1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2Cc1c(F)cccc1F
InChIInChI=1S/C16H16F2N2/c17-14-4-1-5-15(18)13(14)10-20-8-2-3-11-9-12(19)6-7-16(11)20/h1,4-7,9H,2-3,8,10,19H2
InChIKeyOUZUQXDMBZTYJZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.50
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine

1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 114930465) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
PubChem CID114930465
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
SMILESNc1ccc2c(c1)CCCN2Cc1c(F)cccc1F
InChIInChI=1S/C16H16F2N2/c17-14-4-1-5-15(18)13(14)10-20-8-2-3-11-9-12(19)6-7-16(11)20/h1,4-7,9H,2-3,8,10,19H2
InChIKeyOUZUQXDMBZTYJZ-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194542
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
CID 106264339
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
CID 106264354
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
CID 59090152
1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 113326478
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114930258
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
CID 60923081

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine (CID 114930465) is 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine is Nc1ccc2c(c1)CCCN2Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is OUZUQXDMBZTYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c17-14-4-1-5-15(18)13(14)10-20-8-2-3-11-9-12(19)6-7-16(11)20/h1,4-7,9H,2-3,8,10,19H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine?
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 274.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 114930465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).