N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine

C18H17FN2 — CID 81210647

IUPACN-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1ccc2cccnc2c1
InChIInChI=1S/C18H17FN2/c1-2-20-18(14-5-3-7-16(19)11-14)15-9-8-13-6-4-10-21-17(13)12-15/h3-12,18,20H,2H2,1H3
InChIKeyGZVAQXOTFFGMFW-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.07
Rot. Bonds4

About N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine

N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine (PubChem CID 81210647) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
PubChem CID81210647
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC NameN-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1ccc2cccnc2c1
InChIInChI=1S/C18H17FN2/c1-2-20-18(14-5-3-7-16(19)11-14)15-9-8-13-6-4-10-21-17(13)12-15/h3-12,18,20H,2H2,1H3
InChIKeyGZVAQXOTFFGMFW-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210398
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 82731223
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine
CID 106692808
N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
CID 105021434
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine (CID 81210647) is N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine is CCNC(c1cccc(F)c1)c1ccc2cccnc2c1.
What is the InChIKey of N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine?
The InChIKey is GZVAQXOTFFGMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-2-20-18(14-5-3-7-16(19)11-14)15-9-8-13-6-4-10-21-17(13)12-15/h3-12,18,20H,2H2,1H3.
What are the key properties of N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine?
N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine has a molecular weight of 280.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine is sourced from PubChem (CID 81210647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).