N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine

C20H22FN3 — CID 133411285

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCc2ccc(CN(C)C)c(F)c2)c2ccccc2n1
InChIInChI=1S/C20H22FN3/c1-14-10-20(17-6-4-5-7-19(17)23-14)22-12-15-8-9-16(13-24(2)3)18(21)11-15/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyCIQISFUREMSNHT-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.36
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine (PubChem CID 133411285) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine
PubChem CID133411285
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCc2ccc(CN(C)C)c(F)c2)c2ccccc2n1
InChIInChI=1S/C20H22FN3/c1-14-10-20(17-6-4-5-7-19(17)23-14)22-12-15-8-9-16(13-24(2)3)18(21)11-15/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyCIQISFUREMSNHT-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 166230144
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
CID 133411366
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133411419
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-5-fluorobenzonitrile
CID 133411353
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine (CID 133411285) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine is Cc1cc(NCc2ccc(CN(C)C)c(F)c2)c2ccccc2n1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine?
The InChIKey is CIQISFUREMSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-14-10-20(17-6-4-5-7-19(17)23-14)22-12-15-8-9-16(13-24(2)3)18(21)11-15/h4-11H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine has a molecular weight of 323.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 133411285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).