2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine

C17H22BrNS — CID 63773561

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCNCC(CCc1cccs1)Cc1ccccc1Br
InChIInChI=1S/C17H22BrNS/c1-2-19-13-14(9-10-16-7-5-11-20-16)12-15-6-3-4-8-17(15)18/h3-8,11,14,19H,2,9-10,12-13H2,1H3
InChIKeyXVKZGSMQUGHQCT-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.91
Rot. Bonds8

About 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine

2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63773561) has the molecular formula C17H22BrNS and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63773561
Molecular FormulaC17H22BrNS
Molecular Weight352.34 g/mol
Exact Mass351.07
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
SMILESCCNCC(CCc1cccs1)Cc1ccccc1Br
InChIInChI=1S/C17H22BrNS/c1-2-19-13-14(9-10-16-7-5-11-20-16)12-15-6-3-4-8-17(15)18/h3-8,11,14,19H,2,9-10,12-13H2,1H3
InChIKeyXVKZGSMQUGHQCT-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(2-chlorophenyl)methyl]-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63775947
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
2-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 62515283
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine (CID 63773561) is 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine is CCNCC(CCc1cccs1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is XVKZGSMQUGHQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNS/c1-2-19-13-14(9-10-16-7-5-11-20-16)12-15-6-3-4-8-17(15)18/h3-8,11,14,19H,2,9-10,12-13H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine?
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 352.34 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63773561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).