3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine

C9H14BrNS — CID 61286719

IUPAC3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCN(CCCBr)Cc1ccsc1
InChIInChI=1S/C9H14BrNS/c1-11(5-2-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyAZBGPXSXDWQSLF-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.96
Rot. Bonds5

About 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine

3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 61286719) has the molecular formula C9H14BrNS and a molecular weight of 248.19 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID61286719
Molecular FormulaC9H14BrNS
Molecular Weight248.19 g/mol
Exact Mass247.00
IUPAC Name3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCN(CCCBr)Cc1ccsc1
InChIInChI=1S/C9H14BrNS/c1-11(5-2-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyAZBGPXSXDWQSLF-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 43530781
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 77094011
N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090335
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
N'-methyl-N-prop-2-ynyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560587
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 61286719) is 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is CN(CCCBr)Cc1ccsc1.
What is the InChIKey of 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is AZBGPXSXDWQSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNS/c1-11(5-2-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 248.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 61286719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).