1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine

C12H10Br3NS — CID 102834984

IUPAC1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESBrc1ccccc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3NS/c13-10-4-2-1-3-8(10)6-16-7-9-5-11(14)12(15)17-9/h1-5,16H,6-7H2
InChIKeyOVVIWPRMQDXATJ-UHFFFAOYSA-N
MW440.00 g/mol
LogP5.33
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine

1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (PubChem CID 102834984) has the molecular formula C12H10Br3NS and a molecular weight of 440.00 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
PubChem CID102834984
Molecular FormulaC12H10Br3NS
Molecular Weight440.00 g/mol
Exact Mass436.81
IUPAC Name1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESBrc1ccccc1CNCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3NS/c13-10-4-2-1-3-8(10)6-16-7-9-5-11(14)12(15)17-9/h1-5,16H,6-7H2
InChIKeyOVVIWPRMQDXATJ-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.00
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102835913
1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 102836527
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 102834972
1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102831355
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
N-[(4,5-dibromothiophen-2-yl)methyl]-2-ethylaniline
CID 102830609
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenylpropan-1-amine
CID 102830835
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[2-[(dimethylamino)methyl]phenyl]methanamine
CID 102830937
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenoxypropan-1-amine
CID 102835423
methyl 2-[5-[[(2-bromophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894798
1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102835716

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (CID 102834984) is 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is Brc1ccccc1CNCc1cc(Br)c(Br)s1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The InChIKey is OVVIWPRMQDXATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3NS/c13-10-4-2-1-3-8(10)6-16-7-9-5-11(14)12(15)17-9/h1-5,16H,6-7H2.
What are the key properties of 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine has a molecular weight of 440.00 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 102834984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).