N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine

C15H11ClFN3 — CID 114452658

IUPACN-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine
SMILESFc1cc(Cl)cc(CNc2ccc3nccnc3c2)c1
InChIInChI=1S/C15H11ClFN3/c16-11-5-10(6-12(17)7-11)9-20-13-1-2-14-15(8-13)19-4-3-18-14/h1-8,20H,9H2
InChIKeyXKOBWFCQDVEDEA-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.03
Rot. Bonds3

About N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine

N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine (PubChem CID 114452658) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine
PubChem CID114452658
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine
SMILESFc1cc(Cl)cc(CNc2ccc3nccnc3c2)c1
InChIInChI=1S/C15H11ClFN3/c16-11-5-10(6-12(17)7-11)9-20-13-1-2-14-15(8-13)19-4-3-18-14/h1-8,20H,9H2
InChIKeyXKOBWFCQDVEDEA-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
CID 83230495
N-[(3-chloro-5-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 114452531
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
CID 115523823
2-chloro-5-[(3-chloro-5-fluorophenyl)methylamino]benzoic acid
CID 114452545
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 114452169
N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)-3-fluoroaniline
CID 114452668
N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452826
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452683
N-[(2-chlorophenyl)methyl]quinoxalin-6-amine
CID 54863546
5-[(3-chloro-5-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 114452196
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine (CID 114452658) is N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine is Fc1cc(Cl)cc(CNc2ccc3nccnc3c2)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine?
The InChIKey is XKOBWFCQDVEDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-5-10(6-12(17)7-11)9-20-13-1-2-14-15(8-13)19-4-3-18-14/h1-8,20H,9H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine?
N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine has a molecular weight of 287.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 114452658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).