N-(bromomethyl)-2-thiophen-2-ylethanamine

C7H10BrNS — CID 115262160

IUPACN-(bromomethyl)-2-thiophen-2-ylethanamine
SMILESBrCNCCc1cccs1
InChIInChI=1S/C7H10BrNS/c8-6-9-4-3-7-2-1-5-10-7/h1-2,5,9H,3-4,6H2
InChIKeyOXSUTKQGUHMAEF-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.23
Rot. Bonds4

About N-(bromomethyl)-2-thiophen-2-ylethanamine

N-(bromomethyl)-2-thiophen-2-ylethanamine (PubChem CID 115262160) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is N-(bromomethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(bromomethyl)-2-thiophen-2-ylethanamine
PubChem CID115262160
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC NameN-(bromomethyl)-2-thiophen-2-ylethanamine
SMILESBrCNCCc1cccs1
InChIInChI=1S/C7H10BrNS/c8-6-9-4-3-7-2-1-5-10-7/h1-2,5,9H,3-4,6H2
InChIKeyOXSUTKQGUHMAEF-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.23
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
CID 60695451
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
CID 104806086

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-(bromomethyl)-2-thiophen-2-ylethanamine (CID 115262160) is N-(bromomethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(bromomethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(bromomethyl)-2-thiophen-2-ylethanamine is BrCNCCc1cccs1.
What is the InChIKey of N-(bromomethyl)-2-thiophen-2-ylethanamine?
The InChIKey is OXSUTKQGUHMAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c8-6-9-4-3-7-2-1-5-10-7/h1-2,5,9H,3-4,6H2.
What are the key properties of N-(bromomethyl)-2-thiophen-2-ylethanamine?
N-(bromomethyl)-2-thiophen-2-ylethanamine has a molecular weight of 220.13 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 115262160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).