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

C12H10Br2ClNS — CID 102831355

IUPAC1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H10Br2ClNS/c13-11-5-10(17-12(11)14)7-16-6-8-1-3-9(15)4-2-8/h1-5,16H,6-7H2
InChIKeyIRNKIMLSPWAVOS-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.22
Rot. Bonds4

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

1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (PubChem CID 102831355) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
PubChem CID102831355
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H10Br2ClNS/c13-11-5-10(17-12(11)14)7-16-6-8-1-3-9(15)4-2-8/h1-5,16H,6-7H2
InChIKeyIRNKIMLSPWAVOS-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 102835230
1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102835913
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 102834175
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102834984
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 102831068
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 102836534
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 102830826
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
4-chloro-N-[(4,5-dibromothiophen-2-yl)methyl]-2-iodoaniline
CID 107632436
1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 102834954
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4,5-dibromothiophen-2-yl)methanamine
CID 103292056
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenylpropan-1-amine
CID 102830835

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (CID 102831355) is 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is Clc1ccc(CNCc2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The InChIKey is IRNKIMLSPWAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c13-11-5-10(17-12(11)14)7-16-6-8-1-3-9(15)4-2-8/h1-5,16H,6-7H2.
What are the key properties of 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine has a molecular weight of 395.55 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 102831355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).