N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine

C15H16Br2FNS — CID 102827933

IUPACN-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(C)s1)c1cccc(F)c1Br
InChIInChI=1S/C15H16Br2FNS/c1-3-7-19-15(13-8-11(16)9(2)20-13)10-5-4-6-12(18)14(10)17/h4-6,8,15,19H,3,7H2,1-2H3
InChIKeyCVVWJTQKINLZHD-UHFFFAOYSA-N
MW421.17 g/mol
LogP5.81
Rot. Bonds5

About N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 102827933) has the molecular formula C15H16Br2FNS and a molecular weight of 421.17 g/mol. Its IUPAC name is N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID102827933
Molecular FormulaC15H16Br2FNS
Molecular Weight421.17 g/mol
Exact Mass418.94
IUPAC NameN-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(C)s1)c1cccc(F)c1Br
InChIInChI=1S/C15H16Br2FNS/c1-3-7-19-15(13-8-11(16)9(2)20-13)10-5-4-6-12(18)14(10)17/h4-6,8,15,19H,3,7H2,1-2H3
InChIKeyCVVWJTQKINLZHD-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.17
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 102827536
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
N-[(4-bromo-5-methylthiophen-2-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 102827862
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
N-[1-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 102827764
N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118
N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
CID 102827553
N-[(4-bromo-5-methylthiophen-2-yl)-(4-ethylphenyl)methyl]propan-1-amine
CID 102827854
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 102827561
N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 102827690
N-[(3-chloro-2-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 107096598
N-[(5-bromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 61102833

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine (CID 102827933) is N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc(Br)c(C)s1)c1cccc(F)c1Br.
What is the InChIKey of N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is CVVWJTQKINLZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2FNS/c1-3-7-19-15(13-8-11(16)9(2)20-13)10-5-4-6-12(18)14(10)17/h4-6,8,15,19H,3,7H2,1-2H3.
What are the key properties of N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 421.17 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102827933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).