N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C16H20FNOS — CID 81283095

IUPACN-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)c1sccc1C
InChIInChI=1S/C16H20FNOS/c1-4-8-18-15(16-11(2)7-9-20-16)12-5-6-13(17)14(10-12)19-3/h5-7,9-10,15,18H,4,8H2,1-3H3
InChIKeyAJCVIEVKFRJKIH-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.29
Rot. Bonds6

About N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 81283095) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID81283095
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)c1sccc1C
InChIInChI=1S/C16H20FNOS/c1-4-8-18-15(16-11(2)7-9-20-16)12-5-6-13(17)14(10-12)19-3/h5-7,9-10,15,18H,4,8H2,1-3H3
InChIKeyAJCVIEVKFRJKIH-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 107130279
N-[(3-ethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79971418
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106792489
N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 81283095) is N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(OC)c1)c1sccc1C.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is AJCVIEVKFRJKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-4-8-18-15(16-11(2)7-9-20-16)12-5-6-13(17)14(10-12)19-3/h5-7,9-10,15,18H,4,8H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).