N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine

C18H17FN2 — CID 81230333

IUPACN-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc3ncccc23)cc1F
InChIInChI=1S/C18H17FN2/c1-2-20-12-14-9-8-13(11-17(14)19)15-5-3-7-18-16(15)6-4-10-21-18/h3-11,20H,2,12H2,1H3
InChIKeyIZGXVDJLCJIQSZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.15
Rot. Bonds4

About N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine

N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine (PubChem CID 81230333) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine
PubChem CID81230333
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC NameN-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc3ncccc23)cc1F
InChIInChI=1S/C18H17FN2/c1-2-20-12-14-9-8-13(11-17(14)19)15-5-3-7-18-16(15)6-4-10-21-18/h3-11,20H,2,12H2,1H3
InChIKeyIZGXVDJLCJIQSZ-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
5-(3,5-difluorophenyl)quinoline
CID 166308460
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine
CID 114746535
N-[[2-fluoro-4-(1-methylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63976634
N-[(5-quinolin-5-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62874906
N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443
N-[(3-quinolin-5-ylphenyl)methyl]propan-2-amine
CID 81230330
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
N,N-dimethyl-2-(4-quinolin-5-ylphenyl)acetamide
CID 119074954
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine (CID 81230333) is N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine is CCNCc1ccc(-c2cccc3ncccc23)cc1F.
What is the InChIKey of N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine?
The InChIKey is IZGXVDJLCJIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-2-20-12-14-9-8-13(11-17(14)19)15-5-3-7-18-16(15)6-4-10-21-18/h3-11,20H,2,12H2,1H3.
What are the key properties of N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine?
N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine has a molecular weight of 280.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 81230333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).