1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine

C15H18FNS — CID 63993212

IUPAC1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C15H18FNS/c1-10-7-8-18-15(10)12(3)17-11(2)13-5-4-6-14(16)9-13/h4-9,11-12,17H,1-3H3
InChIKeyHIIJJSQDFWMDEO-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.61
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine

1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 63993212) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID63993212
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccsc1C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C15H18FNS/c1-10-7-8-18-15(10)12(3)17-11(2)13-5-4-6-14(16)9-13/h4-9,11-12,17H,1-3H3
InChIKeyHIIJJSQDFWMDEO-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81365857
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1S)-N-(dithiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81353521
1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993264
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine (CID 63993212) is 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccsc1C(C)NC(C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is HIIJJSQDFWMDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-10-7-8-18-15(10)12(3)17-11(2)13-5-4-6-14(16)9-13/h4-9,11-12,17H,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine?
1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63993212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).