2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine

C10H15BrClNS — CID 115215289

IUPAC2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCCl)c1ccc(Br)s1
InChIInChI=1S/C10H15BrClNS/c1-10(2,7-13-6-5-12)8-3-4-9(11)14-8/h3-4,13H,5-7H2,1-2H3
InChIKeyAYDQWKOAQPZHRX-UHFFFAOYSA-N
MW296.66 g/mol
LogP3.62
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine

2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine (PubChem CID 115215289) has the molecular formula C10H15BrClNS and a molecular weight of 296.66 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
PubChem CID115215289
Molecular FormulaC10H15BrClNS
Molecular Weight296.66 g/mol
Exact Mass294.98
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCCCl)c1ccc(Br)s1
InChIInChI=1S/C10H15BrClNS/c1-10(2,7-13-6-5-12)8-3-4-9(11)14-8/h3-4,13H,5-7H2,1-2H3
InChIKeyAYDQWKOAQPZHRX-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.66
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-4-methylpentane-1,4-diamine
CID 115205523
N'-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203520
2-[[[2-(5-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254728
1-[[[2-(5-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242656
2-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]benzene-1,2-diamine
CID 115124665
3-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830959
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190069
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
CID 115215348
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
2-bromo-5-(1,1-difluoroethyl)thiophene
CID 116841527

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine (CID 115215289) is 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine is CC(C)(CNCCCl)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine?
The InChIKey is AYDQWKOAQPZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClNS/c1-10(2,7-13-6-5-12)8-3-4-9(11)14-8/h3-4,13H,5-7H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine?
2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine has a molecular weight of 296.66 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115215289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).