[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine

C14H16FNOS — CID 107686357

IUPAC[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCCc1ccc(COc2ccc(CN)cc2F)s1
InChIInChI=1S/C14H16FNOS/c1-2-11-4-5-12(18-11)9-17-14-6-3-10(8-16)7-13(14)15/h3-7H,2,8-9,16H2,1H3
InChIKeyZHYCZCMKRDPBFF-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.49
Rot. Bonds5

About [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine

[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 107686357) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
PubChem CID107686357
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
SMILESCCc1ccc(COc2ccc(CN)cc2F)s1
InChIInChI=1S/C14H16FNOS/c1-2-11-4-5-12(18-11)9-17-14-6-3-10(8-16)7-13(14)15/h3-7H,2,8-9,16H2,1H3
InChIKeyZHYCZCMKRDPBFF-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
CID 107670432
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
CID 107558707
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
CID 61312810
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
CID 107686259
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol
CID 107686395
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331

Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine (CID 107686357) is [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine is CCc1ccc(COc2ccc(CN)cc2F)s1.
What is the InChIKey of [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is ZHYCZCMKRDPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-2-11-4-5-12(18-11)9-17-14-6-3-10(8-16)7-13(14)15/h3-7H,2,8-9,16H2,1H3.
What are the key properties of [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine?
[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 107686357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).