(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine

C18H17FN2 — CID 81353377

IUPAC(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2/c1-13(15-6-4-7-16(19)11-15)20-12-17-10-9-14-5-2-3-8-18(14)21-17/h2-11,13,20H,12H2,1H3/t13-/m0/s1
InChIKeyNCNKQLAPQGBWIU-ZDUSSCGKSA-N
MW280.35 g/mol
LogP4.22
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine

(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 81353377) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID81353377
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2ccccc2n1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2/c1-13(15-6-4-7-16(19)11-15)20-12-17-10-9-14-5-2-3-8-18(14)21-17/h2-11,13,20H,12H2,1H3/t13-/m0/s1
InChIKeyNCNKQLAPQGBWIU-ZDUSSCGKSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
3-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774836
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365728
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,3-diol
CID 43205914
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
CID 63229227
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine (CID 81353377) is (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine is C[C@H](NCc1ccc2ccccc2n1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is NCNKQLAPQGBWIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN2/c1-13(15-6-4-7-16(19)11-15)20-12-17-10-9-14-5-2-3-8-18(14)21-17/h2-11,13,20H,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine?
(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 280.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81353377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).