3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine

C21H24FN3O2 — CID 29208215

IUPAC3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine
SMILESCOc1cc(CNCc2cc3ccc(F)cc3nc2N(C)C)cc(OC)c1
InChIInChI=1S/C21H24FN3O2/c1-25(2)21-16(9-15-5-6-17(22)10-20(15)24-21)13-23-12-14-7-18(26-3)11-19(8-14)27-4/h5-11,23H,12-13H2,1-4H3
InChIKeyUSNMKBHXHULVRY-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.75
Rot. Bonds7

About 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine

3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine (PubChem CID 29208215) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine.

Molecular Properties

Compound Name3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine
PubChem CID29208215
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine
SMILESCOc1cc(CNCc2cc3ccc(F)cc3nc2N(C)C)cc(OC)c1
InChIInChI=1S/C21H24FN3O2/c1-25(2)21-16(9-15-5-6-17(22)10-20(15)24-21)13-23-12-14-7-18(26-3)11-19(8-14)27-4/h5-11,23H,12-13H2,1-4H3
InChIKeyUSNMKBHXHULVRY-UHFFFAOYSA-N
XLogP3.75
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine
CID 118758168
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 792126
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol
CID 118754930
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
5,6,7-trimethoxy-N,N-dimethyl-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-amine
CID 42317885
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
1-(2,5-difluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893372

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine?
The IUPAC name of 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine (CID 29208215) is 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine.
What is the SMILES notation for 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine?
The canonical SMILES for 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine is COc1cc(CNCc2cc3ccc(F)cc3nc2N(C)C)cc(OC)c1.
What is the InChIKey of 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine?
The InChIKey is USNMKBHXHULVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-25(2)21-16(9-15-5-6-17(22)10-20(15)24-21)13-23-12-14-7-18(26-3)11-19(8-14)27-4/h5-11,23H,12-13H2,1-4H3.
What are the key properties of 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine?
3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine has a molecular weight of 369.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine is sourced from PubChem (CID 29208215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).