1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine

C16H17Br2NS — CID 43288016

IUPAC1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(-c2c(Br)cc(C)cc2Br)s1)C1CC1
InChIInChI=1S/C16H17Br2NS/c1-9-7-11(17)15(12(18)8-9)13-5-6-14(20-13)16(19-2)10-3-4-10/h5-8,10,16,19H,3-4H2,1-2H3
InChIKeyIKPWPBYPFRCADQ-UHFFFAOYSA-N
MW415.19 g/mol
LogP5.92
Rot. Bonds4

About 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine

1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 43288016) has the molecular formula C16H17Br2NS and a molecular weight of 415.19 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID43288016
Molecular FormulaC16H17Br2NS
Molecular Weight415.19 g/mol
Exact Mass412.94
IUPAC Name1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(-c2c(Br)cc(C)cc2Br)s1)C1CC1
InChIInChI=1S/C16H17Br2NS/c1-9-7-11(17)15(12(18)8-9)13-5-6-14(20-13)16(19-2)10-3-4-10/h5-8,10,16,19H,3-4H2,1-2H3
InChIKeyIKPWPBYPFRCADQ-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.19
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43288068
1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43287807
1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43288020
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412
1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287604
1-cyclopropyl-N-methyl-1-(5-naphthalen-2-ylthiophen-2-yl)methanamine
CID 43287655
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
CID 43287687
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112
5-[cyclopropyl(methylamino)methyl]thiophene-2-sulfonamide
CID 146570649
1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
CID 63400602
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine (CID 43288016) is 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine is CNC(c1ccc(-c2c(Br)cc(C)cc2Br)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is IKPWPBYPFRCADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NS/c1-9-7-11(17)15(12(18)8-9)13-5-6-14(20-13)16(19-2)10-3-4-10/h5-8,10,16,19H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 415.19 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43288016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).