N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine

C14H15Br2NS — CID 55187278

IUPACN-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(Br)ccc2Br)s1
InChIInChI=1S/C14H15Br2NS/c1-2-7-17-9-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8,17H,2,7,9H2,1H3
InChIKeyRRKJRZUSAGKKAC-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.44
Rot. Bonds5

About N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine

N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 55187278) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID55187278
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC NameN-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(Br)ccc2Br)s1
InChIInChI=1S/C14H15Br2NS/c1-2-7-17-9-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8,17H,2,7,9H2,1H3
InChIKeyRRKJRZUSAGKKAC-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(5-bromo-2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43806615
N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 82766566
N-[[5-(2,4,5-trichlorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287438
N-[[5-[4-bromo-3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]propan-1-amine
CID 64855339
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 62814080
N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287243
1-[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
CID 107626547
N-[(5-naphthalen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43287188
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282726
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine (CID 55187278) is N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(Br)ccc2Br)s1.
What is the InChIKey of N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is RRKJRZUSAGKKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-2-7-17-9-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8,17H,2,7,9H2,1H3.
What are the key properties of N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 389.16 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55187278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).