2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride

C19H19ClFNO2S — CID 19644504

IUPAC2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride
SMILESCOc1cc(CNc2ccccc2F)ccc1OCc1cccs1.Cl
InChIInChI=1S/C19H18FNO2S.ClH/c1-22-19-11-14(12-21-17-7-3-2-6-16(17)20)8-9-18(19)23-13-15-5-4-10-24-15;/h2-11,21H,12-13H2,1H3;1H
InChIKeyFEQUHHSSGNKXEX-UHFFFAOYSA-N
MW379.88 g/mol
LogP5.51
Rot. Bonds7

About 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride

2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride (PubChem CID 19644504) has the molecular formula C19H19ClFNO2S and a molecular weight of 379.88 g/mol. Its IUPAC name is 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride
PubChem CID19644504
Molecular FormulaC19H19ClFNO2S
Molecular Weight379.88 g/mol
Exact Mass379.08
IUPAC Name2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride
SMILESCOc1cc(CNc2ccccc2F)ccc1OCc1cccs1.Cl
InChIInChI=1S/C19H18FNO2S.ClH/c1-22-19-11-14(12-21-17-7-3-2-6-16(17)20)8-9-18(19)23-13-15-5-4-10-24-15;/h2-11,21H,12-13H2,1H3;1H
InChIKeyFEQUHHSSGNKXEX-UHFFFAOYSA-N
XLogP5.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.88
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4723262
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 6463534
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290330
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290314
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290099
tert-butyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 6965110
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430215
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17293810
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4723257

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride?
The IUPAC name of 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride (CID 19644504) is 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride?
The canonical SMILES for 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride is COc1cc(CNc2ccccc2F)ccc1OCc1cccs1.Cl.
What is the InChIKey of 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride?
The InChIKey is FEQUHHSSGNKXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S.ClH/c1-22-19-11-14(12-21-17-7-3-2-6-16(17)20)8-9-18(19)23-13-15-5-4-10-24-15;/h2-11,21H,12-13H2,1H3;1H.
What are the key properties of 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride?
2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride has a molecular weight of 379.88 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride is sourced from PubChem (CID 19644504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).