3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C13H22BrNS — CID 62725350

IUPAC3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cc1sccc1Br
InChIInChI=1S/C13H22BrNS/c1-10(2)8-15-9-13(3,4)7-12-11(14)5-6-16-12/h5-6,10,15H,7-9H2,1-4H3
InChIKeyQNBSESPXQNWNRI-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.32
Rot. Bonds6

About 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 62725350) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID62725350
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)Cc1sccc1Br
InChIInChI=1S/C13H22BrNS/c1-10(2)8-15-9-13(3,4)7-12-11(14)5-6-16-12/h5-6,10,15H,7-9H2,1-4H3
InChIKeyQNBSESPXQNWNRI-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
N-[3-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 79432398
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 64717184
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 62529510
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535172

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 62725350) is 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)Cc1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is QNBSESPXQNWNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-10(2)8-15-9-13(3,4)7-12-11(14)5-6-16-12/h5-6,10,15H,7-9H2,1-4H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 62725350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).