1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine

C14H15ClFNOS — CID 103400975

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1F)c1scc(C)c1Cl
InChIInChI=1S/C14H15ClFNOS/c1-8-7-19-14(12(8)15)13(17-2)10-5-4-9(18-3)6-11(10)16/h4-7,13,17H,1-3H3
InChIKeyJAEGESSUJHUPCS-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 103400975) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID103400975
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1F)c1scc(C)c1Cl
InChIInChI=1S/C14H15ClFNOS/c1-8-7-19-14(12(8)15)13(17-2)10-5-4-9(18-3)6-11(10)16/h4-7,13,17H,1-3H3
InChIKeyJAEGESSUJHUPCS-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401428
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
1-(4-chloro-2,5-difluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82772858
(3-chloro-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 103404237
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
2-[bromo-(2,6-difluoro-4-methoxyphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404628
1-(2-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81454582
1-(4-bromonaphthalen-1-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401226
[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 103408381

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 103400975) is 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1F)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is JAEGESSUJHUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-8-7-19-14(12(8)15)13(17-2)10-5-4-9(18-3)6-11(10)16/h4-7,13,17H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 299.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 103400975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).