4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine

C10H16BrNS — CID 61287126

IUPAC4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCN(CCCCBr)Cc1cccs1
InChIInChI=1S/C10H16BrNS/c1-12(7-3-2-6-11)9-10-5-4-8-13-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyLCYTYFYRHIOAMZ-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.36
Rot. Bonds6

About 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine

4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine (PubChem CID 61287126) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
PubChem CID61287126
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
SMILESCN(CCCCBr)Cc1cccs1
InChIInChI=1S/C10H16BrNS/c1-12(7-3-2-6-11)9-10-5-4-8-13-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyLCYTYFYRHIOAMZ-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
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

4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62210978
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
N-(4-bromophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55090095

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine (CID 61287126) is 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine is CN(CCCCBr)Cc1cccs1.
What is the InChIKey of 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
The InChIKey is LCYTYFYRHIOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-12(7-3-2-6-11)9-10-5-4-8-13-10/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine?
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine has a molecular weight of 262.22 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 61287126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).