1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine

C16H16ClFN2 — CID 115983271

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16ClFN2/c17-16-11(4-1-6-13(16)18)10-20-9-3-5-12-14(19)7-2-8-15(12)20/h1-2,4,6-8H,3,5,9-10,19H2
InChIKeyNGUXSFFKOOABHY-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.01
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine

1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 115983271) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
PubChem CID115983271
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16ClFN2/c17-16-11(4-1-6-13(16)18)10-20-9-3-5-12-14(19)7-2-8-15(12)20/h1-2,4,6-8H,3,5,9-10,19H2
InChIKeyNGUXSFFKOOABHY-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine (CID 115983271) is 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine is Nc1cccc2c1CCCN2Cc1cccc(F)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is NGUXSFFKOOABHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c17-16-11(4-1-6-13(16)18)10-20-9-3-5-12-14(19)7-2-8-15(12)20/h1-2,4,6-8H,3,5,9-10,19H2.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 290.77 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 115983271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).