N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine

C16H19ClFNOS — CID 102764094

IUPACN-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)c1c(F)cccc1OC
InChIInChI=1S/C16H19ClFNOS/c1-4-8-19-15(13-9-10(2)16(17)21-13)14-11(18)6-5-7-12(14)20-3/h5-7,9,15,19H,4,8H2,1-3H3
InChIKeyAYWXRSOXNTZQPJ-UHFFFAOYSA-N
MW327.85 g/mol
LogP4.95
Rot. Bonds6

About N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine

N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine (PubChem CID 102764094) has the molecular formula C16H19ClFNOS and a molecular weight of 327.85 g/mol. Its IUPAC name is N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
PubChem CID102764094
Molecular FormulaC16H19ClFNOS
Molecular Weight327.85 g/mol
Exact Mass327.09
IUPAC NameN-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(Cl)s1)c1c(F)cccc1OC
InChIInChI=1S/C16H19ClFNOS/c1-4-8-19-15(13-9-10(2)16(17)21-13)14-11(18)6-5-7-12(14)20-3/h5-7,9,15,19H,4,8H2,1-3H3
InChIKeyAYWXRSOXNTZQPJ-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764930
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 102764059
N-[(5-bromo-4-methylthiophen-2-yl)-(2-chloro-6-fluorophenyl)methyl]propan-1-amine
CID 79991025
N-[(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 102764221
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 102764197
N-[(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105024816
N-[2,3-dihydrofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 102651984
N-[(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 65237606
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine (CID 102764094) is N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)c(Cl)s1)c1c(F)cccc1OC.
What is the InChIKey of N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is AYWXRSOXNTZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNOS/c1-4-8-19-15(13-9-10(2)16(17)21-13)14-11(18)6-5-7-12(14)20-3/h5-7,9,15,19H,4,8H2,1-3H3.
What are the key properties of N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine?
N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 327.85 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 102764094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).