1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine

C15H18FNOS — CID 83075054

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2cscc2C)ccc1F
InChIInChI=1S/C15H18FNOS/c1-10-8-19-9-13(10)7-17-11(2)12-4-5-14(16)15(6-12)18-3/h4-6,8-9,11,17H,7H2,1-3H3
InChIKeyODICQQZTFYULMD-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine

1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 83075054) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
PubChem CID83075054
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCOc1cc(C(C)NCc2cscc2C)ccc1F
InChIInChI=1S/C15H18FNOS/c1-10-8-19-9-13(10)7-17-11(2)12-4-5-14(16)15(6-12)18-3/h4-6,8-9,11,17H,7H2,1-3H3
InChIKeyODICQQZTFYULMD-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82884552
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
CID 103947395
N-[(4-chloro-2-methylphenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 104853881
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 82991376

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine (CID 83075054) is 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine is COc1cc(C(C)NCc2cscc2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is ODICQQZTFYULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-10-8-19-9-13(10)7-17-11(2)12-4-5-14(16)15(6-12)18-3/h4-6,8-9,11,17H,7H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine?
1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 83075054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).