N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

C14H14BrClFNS — CID 102828532

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)c1cc(C)ccc1F
InChIInChI=1S/C14H14BrClFNS/c1-3-18-13(12-7-10(15)14(16)19-12)9-6-8(2)4-5-11(9)17/h4-7,13,18H,3H2,1-2H3
InChIKeyGFOGEMCKDWGKHS-UHFFFAOYSA-N
MW362.70 g/mol
LogP5.31
Rot. Bonds4

About N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 102828532) has the molecular formula C14H14BrClFNS and a molecular weight of 362.70 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID102828532
Molecular FormulaC14H14BrClFNS
Molecular Weight362.70 g/mol
Exact Mass360.97
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)c1cc(C)ccc1F
InChIInChI=1S/C14H14BrClFNS/c1-3-18-13(12-7-10(15)14(16)19-12)9-6-8(2)4-5-11(9)17/h4-7,13,18H,3H2,1-2H3
InChIKeyGFOGEMCKDWGKHS-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 79992193
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852716
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 102828487
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 114021205
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 102828442
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 107476394
N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488147
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 102828588
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 102828671

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 102828532) is N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(Br)c(Cl)s1)c1cc(C)ccc1F.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is GFOGEMCKDWGKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFNS/c1-3-18-13(12-7-10(15)14(16)19-12)9-6-8(2)4-5-11(9)17/h4-7,13,18H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 362.70 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 102828532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).