N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine

C16H13ClFN3 — CID 62537479

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN3/c1-10-16(21-15-5-3-2-4-14(15)20-10)19-9-11-6-7-13(18)12(17)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyYJGIHKMZQDDTSZ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.34
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine

N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine (PubChem CID 62537479) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
PubChem CID62537479
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H13ClFN3/c1-10-16(21-15-5-3-2-4-14(15)20-10)19-9-11-6-7-13(18)12(17)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyYJGIHKMZQDDTSZ-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80832814
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 62537645
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine (CID 62537479) is N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine?
The InChIKey is YJGIHKMZQDDTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-10-16(21-15-5-3-2-4-14(15)20-10)19-9-11-6-7-13(18)12(17)8-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine has a molecular weight of 301.75 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 62537479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).