N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine

C14H14BrF2NS — CID 79724246

IUPACN-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H14BrF2NS/c1-3-18-14(12-4-5-13(15)19-12)9-6-8(2)10(16)7-11(9)17/h4-7,14,18H,3H2,1-2H3
InChIKeyHZDXAZDYEVDDEV-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.80
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 79724246) has the molecular formula C14H14BrF2NS and a molecular weight of 346.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
PubChem CID79724246
Molecular FormulaC14H14BrF2NS
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H14BrF2NS/c1-3-18-14(12-4-5-13(15)19-12)9-6-8(2)10(16)7-11(9)17/h4-7,14,18H,3H2,1-2H3
InChIKeyHZDXAZDYEVDDEV-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 61103990
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503607
N-[(2-bromo-4-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79726735
N-[(5-bromothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 61103404
N-[(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79726080
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488147
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
N-[(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 79992193
N-[(4-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503772
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine (CID 79724246) is N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1cc(C)c(F)cc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is HZDXAZDYEVDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NS/c1-3-18-14(12-4-5-13(15)19-12)9-6-8(2)10(16)7-11(9)17/h4-7,14,18H,3H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 346.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 79724246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).