N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine

C18H17FN2 — CID 63229227

IUPACN-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC(C)c1cccc(F)c1
InChIInChI=1S/C18H17FN2/c1-12-10-15-6-3-4-9-17(15)21-18(12)20-13(2)14-7-5-8-16(19)11-14/h3-11,13H,1-2H3,(H,20,21)
InChIKeyAWHGITZHHQTGCG-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.86
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine

N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine (PubChem CID 63229227) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
PubChem CID63229227
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC(C)c1cccc(F)c1
InChIInChI=1S/C18H17FN2/c1-12-10-15-6-3-4-9-17(15)21-18(12)20-13(2)14-7-5-8-16(19)11-14/h3-11,13H,1-2H3,(H,20,21)
InChIKeyAWHGITZHHQTGCG-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
CID 63228896
(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 81353377
2-[(3-methylquinolin-2-yl)amino]propanamide
CID 63229343
methyl 2-[(3-methylquinolin-2-yl)amino]propanoate
CID 63229182
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761800
1-N,1-N-dimethyl-3-N-(3-methylquinolin-2-yl)butane-1,3-diamine
CID 55173421
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
N-[(2,4-difluorophenyl)methyl]-3-methylquinolin-2-amine
CID 63229190

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine (CID 63229227) is N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine?
The InChIKey is AWHGITZHHQTGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-10-15-6-3-4-9-17(15)21-18(12)20-13(2)14-7-5-8-16(19)11-14/h3-11,13H,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine?
N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 63229227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).