N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

C16H20FNOS — CID 79985221

IUPACN-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)c1sccc1CC
InChIInChI=1S/C16H20FNOS/c1-4-11-8-9-20-16(11)15(18-5-2)13-10-12(17)6-7-14(13)19-3/h6-10,15,18H,4-5H2,1-3H3
InChIKeyTWQRDPAEDNGYJE-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.16
Rot. Bonds6

About N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 79985221) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
PubChem CID79985221
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)c1sccc1CC
InChIInChI=1S/C16H20FNOS/c1-4-11-8-9-20-16(11)15(18-5-2)13-10-12(17)6-7-14(13)19-3/h6-10,15,18H,4-5H2,1-3H3
InChIKeyTWQRDPAEDNGYJE-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 79973511
N-[(4-fluoro-2-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115852574
N-[(3-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 80645045
N-[(5-bromo-2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79972309
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79985462
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
N-[(3-ethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79971418
N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 107503890
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (CID 79985221) is N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1OC)c1sccc1CC.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is TWQRDPAEDNGYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-4-11-8-9-20-16(11)15(18-5-2)13-10-12(17)6-7-14(13)19-3/h6-10,15,18H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 79985221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).