1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine

C11H18BrNS — CID 79992174

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C11H18BrNS/c1-4-5-7(2)10(13)9-6-8(3)11(12)14-9/h6-7,10H,4-5,13H2,1-3H3
InChIKeyXKZPXJRFXRDMLQ-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.26
Rot. Bonds4

About 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine (PubChem CID 79992174) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
PubChem CID79992174
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cc(C)c(Br)s1
InChIInChI=1S/C11H18BrNS/c1-4-5-7(2)10(13)9-6-8(3)11(12)14-9/h6-7,10H,4-5,13H2,1-3H3
InChIKeyXKZPXJRFXRDMLQ-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
2-bromo-5-(1-bromo-4-methylpentyl)-3-methylthiophene
CID 79991383
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
CID 131039487
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247467

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine (CID 79992174) is 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine is CCCC(C)C(N)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine?
The InChIKey is XKZPXJRFXRDMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-4-5-7(2)10(13)9-6-8(3)11(12)14-9/h6-7,10H,4-5,13H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 79992174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).