(2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

C14H16FNO3S — CID 81126585

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2sccc2OC)cc1OC
InChIInChI=1S/C14H16FNO3S/c1-17-10-4-5-20-14(10)13(16)8-6-11(18-2)12(19-3)7-9(8)15/h4-7,13H,16H2,1-3H3
InChIKeyIKORPVRBONUYFN-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.96
Rot. Bonds5

About (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine

(2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 81126585) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID81126585
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1cc(F)c(C(N)c2sccc2OC)cc1OC
InChIInChI=1S/C14H16FNO3S/c1-17-10-4-5-20-14(10)13(16)8-6-11(18-2)12(19-3)7-9(8)15/h4-7,13H,16H2,1-3H3
InChIKeyIKORPVRBONUYFN-UHFFFAOYSA-N
XLogP2.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577
[2-(3,4-Dimethoxyphenyl)ethyl](thiophen-3-ylmethyl)amine
CID 4544980
1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(2-thienyl)isoquinoline
CID 2997669
2-(4-Methoxyphenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062038
Ethyl({[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl})amine
CID 2562097
(4-(4-Methoxyphenyl)thiophen-2-yl)methanamine
CID 64311449
(1R)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 7047638
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1814835
2-(3,4-dimethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 3155261
2-(4-Methoxyphenyl)-1-thiophen-2-ylethanamine
CID 3062039
7-(6-Fluoro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 14719578

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine (CID 81126585) is (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine is COc1cc(F)c(C(N)c2sccc2OC)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is IKORPVRBONUYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-17-10-4-5-20-14(10)13(16)8-6-11(18-2)12(19-3)7-9(8)15/h4-7,13H,16H2,1-3H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine?
(2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 297.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81126585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).