N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine

C17H14F2N2 — CID 63229190

IUPACN-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2/c1-11-8-12-4-2-3-5-16(12)21-17(11)20-10-13-6-7-14(18)9-15(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyIQXYZCNOWUJFAL-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.43
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine

N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine (PubChem CID 63229190) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
PubChem CID63229190
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCc1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2/c1-11-8-12-4-2-3-5-16(12)21-17(11)20-10-13-6-7-14(18)9-15(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyIQXYZCNOWUJFAL-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279
4-N-[(2,4-difluorophenyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80821596
3-methyl-N-[(5-methylthiophen-2-yl)methyl]quinolin-2-amine
CID 63229105
N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine
CID 65028385
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
CID 106293889
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine
CID 97235078
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
4-N-[(2,4-difluorophenyl)methyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80983059
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine (CID 63229190) is N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine?
The InChIKey is IQXYZCNOWUJFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c1-11-8-12-4-2-3-5-16(12)21-17(11)20-10-13-6-7-14(18)9-15(13)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine?
N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine has a molecular weight of 284.31 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 63229190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).