2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine

C20H20FNO2S — CID 21157641

IUPAC2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine
SMILESCOc1cc(CC(N)c2cccs2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H20FNO2S/c1-23-19-12-15(11-17(22)20-3-2-10-25-20)6-9-18(19)24-13-14-4-7-16(21)8-5-14/h2-10,12,17H,11,13,22H2,1H3
InChIKeyIEQXMFAMVQCMMC-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.72
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine

2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine (PubChem CID 21157641) has the molecular formula C20H20FNO2S and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine
PubChem CID21157641
Molecular FormulaC20H20FNO2S
Molecular Weight357.45 g/mol
Exact Mass357.12
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine
SMILESCOc1cc(CC(N)c2cccs2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H20FNO2S/c1-23-19-12-15(11-17(22)20-3-2-10-25-20)6-9-18(19)24-13-14-4-7-16(21)8-5-14/h2-10,12,17H,11,13,22H2,1H3
InChIKeyIEQXMFAMVQCMMC-UHFFFAOYSA-N
XLogP4.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157649
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290330
2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157645
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 61097509
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
CID 21156725
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine (CID 21157641) is 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine is COc1cc(CC(N)c2cccs2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine?
The InChIKey is IEQXMFAMVQCMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2S/c1-23-19-12-15(11-17(22)20-3-2-10-25-20)6-9-18(19)24-13-14-4-7-16(21)8-5-14/h2-10,12,17H,11,13,22H2,1H3.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine?
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine has a molecular weight of 357.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 21157641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).