N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine

C18H16F2N2O — CID 133474811

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine
SMILESCOc1ccc2nc(NCc3ccc(C(F)F)cc3)ccc2c1
InChIInChI=1S/C18H16F2N2O/c1-23-15-7-8-16-14(10-15)6-9-17(22-16)21-11-12-2-4-13(5-3-12)18(19)20/h2-10,18H,11H2,1H3,(H,21,22)
InChIKeyMDPBLFRVRFWVDA-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.79
Rot. Bonds5

About N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine

N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine (PubChem CID 133474811) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine
PubChem CID133474811
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine
SMILESCOc1ccc2nc(NCc3ccc(C(F)F)cc3)ccc2c1
InChIInChI=1S/C18H16F2N2O/c1-23-15-7-8-16-14(10-15)6-9-17(22-16)21-11-12-2-4-13(5-3-12)18(19)20/h2-10,18H,11H2,1H3,(H,21,22)
InChIKeyMDPBLFRVRFWVDA-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-methoxyaniline
CID 115524054
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100660094
2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
CID 43450871
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
(6-methoxyquinolin-2-yl)methanamine;dihydrochloride
CID 47002728
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
2-[(6-methoxynaphthalen-2-yl)methylamino]quinoline-4-carbonitrile
CID 91643069
N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine
CID 31196612
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine (CID 133474811) is N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine is COc1ccc2nc(NCc3ccc(C(F)F)cc3)ccc2c1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine?
The InChIKey is MDPBLFRVRFWVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-23-15-7-8-16-14(10-15)6-9-17(22-16)21-11-12-2-4-13(5-3-12)18(19)20/h2-10,18H,11H2,1H3,(H,21,22).
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine?
N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine has a molecular weight of 314.34 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-6-methoxyquinolin-2-amine is sourced from PubChem (CID 133474811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).