N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine

C14H15Br2NS — CID 80535141

IUPACN-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1C)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-13(14-12(16)6-7-18-14)11-5-4-10(15)8-9(11)2/h4-8,13,17H,3H2,1-2H3
InChIKeyZJUDRZOOSAYWRF-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.28
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine

N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 80535141) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
PubChem CID80535141
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC NameN-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1C)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-3-17-13(14-12(16)6-7-18-14)11-5-4-10(15)8-9(11)2/h4-8,13,17H,3H2,1-2H3
InChIKeyZJUDRZOOSAYWRF-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55195885
N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 80535905
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(3-bromothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81277844
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 79991980
N-[(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 80535170
N-[(4-bromo-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43629866
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435
N-[(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]ethanamine
CID 105399047
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine (CID 80535141) is N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1C)c1sccc1Br.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is ZJUDRZOOSAYWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-3-17-13(14-12(16)6-7-18-14)11-5-4-10(15)8-9(11)2/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine?
N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 80535141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).