3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine

C10H16BrNS — CID 64996092

IUPAC3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(CBr)CN(C)Cc1ccsc1
InChIInChI=1S/C10H16BrNS/c1-9(5-11)6-12(2)7-10-3-4-13-8-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWZYSUPWOZGFXAO-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.21
Rot. Bonds5

About 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine

3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 64996092) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID64996092
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(CBr)CN(C)Cc1ccsc1
InChIInChI=1S/C10H16BrNS/c1-9(5-11)6-12(2)7-10-3-4-13-8-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyWZYSUPWOZGFXAO-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.21
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

3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 81101740
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180
3-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 64996041
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
1-N,3-N,2,2-tetramethyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 66452759
N,N',2-trimethyl-N'-(2-thiophen-3-ylethyl)propane-1,3-diamine
CID 106915888
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 65002220
4-[1-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]ethyl]benzonitrile
CID 43528196
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 115941207

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 64996092) is 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine is CC(CBr)CN(C)Cc1ccsc1.
What is the InChIKey of 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is WZYSUPWOZGFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-9(5-11)6-12(2)7-10-3-4-13-8-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine?
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 262.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 64996092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).