N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine

C16H17Br2NS — CID 63401070

IUPACN-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(-c2cc(Br)ccc2Br)s1)C1CC1
InChIInChI=1S/C16H17Br2NS/c1-2-19-16(10-3-4-10)15-8-7-14(20-15)12-9-11(17)5-6-13(12)18/h5-10,16,19H,2-4H2,1H3
InChIKeyIWXHMIZAEVMGJY-UHFFFAOYSA-N
MW415.19 g/mol
LogP6.00
Rot. Bonds5

About N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine

N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 63401070) has the molecular formula C16H17Br2NS and a molecular weight of 415.19 g/mol. Its IUPAC name is N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID63401070
Molecular FormulaC16H17Br2NS
Molecular Weight415.19 g/mol
Exact Mass412.94
IUPAC NameN-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(-c2cc(Br)ccc2Br)s1)C1CC1
InChIInChI=1S/C16H17Br2NS/c1-2-19-16(10-3-4-10)15-8-7-14(20-15)12-9-11(17)5-6-13(12)18/h5-10,16,19H,2-4H2,1H3
InChIKeyIWXHMIZAEVMGJY-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.19
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
CID 61470004
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 63400441
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43288068

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine (CID 63401070) is N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine is CCNC(c1ccc(-c2cc(Br)ccc2Br)s1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is IWXHMIZAEVMGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NS/c1-2-19-16(10-3-4-10)15-8-7-14(20-15)12-9-11(17)5-6-13(12)18/h5-10,16,19H,2-4H2,1H3.
What are the key properties of N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine?
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 415.19 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 63401070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).