1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

C14H15BrClNS — CID 115654593

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)cc2Cl)sc1C
InChIInChI=1S/C14H15BrClNS/c1-9-5-13(18-10(9)2)8-17-7-11-3-4-12(15)6-14(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyZIEDNAXURXCDFV-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.07
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (PubChem CID 115654593) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
PubChem CID115654593
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccc(Br)cc2Cl)sc1C
InChIInChI=1S/C14H15BrClNS/c1-9-5-13(18-10(9)2)8-17-7-11-3-4-12(15)6-14(11)16/h3-6,17H,7-8H2,1-2H3
InChIKeyZIEDNAXURXCDFV-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
2-[(4-bromo-2-chlorophenyl)methylamino]ethanol
CID 75355507
N-[(4-bromo-2-chlorophenyl)methyl]-2-methylsulfanylethanamine
CID 115651408
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
2-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]-5-methoxyaniline
CID 115414202
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
2-(4-bromo-2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105037758
4-[[(4-bromo-2-chlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115595283
1-(3-bromo-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79710421
3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
CID 65241599
N-[[4-[(5-bromo-2-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80723571
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106180138

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (CID 115654593) is 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is Cc1cc(CNCc2ccc(Br)cc2Cl)sc1C.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The InChIKey is ZIEDNAXURXCDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-9-5-13(18-10(9)2)8-17-7-11-3-4-12(15)6-14(11)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine has a molecular weight of 344.71 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 115654593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).