1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine

C14H24BrNS — CID 115847608

IUPAC1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cc(Br)cs1)NC
InChIInChI=1S/C14H24BrNS/c1-4-6-11(7-5-2)14(16-3)9-13-8-12(15)10-17-13/h8,10-11,14,16H,4-7,9H2,1-3H3
InChIKeyCHQAPFKURRNACB-UHFFFAOYSA-N
MW318.32 g/mol
LogP4.86
Rot. Bonds8

About 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine

1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine (PubChem CID 115847608) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine
PubChem CID115847608
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1cc(Br)cs1)NC
InChIInChI=1S/C14H24BrNS/c1-4-6-11(7-5-2)14(16-3)9-13-8-12(15)10-17-13/h8,10-11,14,16H,4-7,9H2,1-3H3
InChIKeyCHQAPFKURRNACB-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718957
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
CID 64504462
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724855
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62602058
4-bromo-2-(3-bromo-2-methylpropyl)thiophene
CID 66050484

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine (CID 115847608) is 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine is CCCC(CCC)C(Cc1cc(Br)cs1)NC.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine?
The InChIKey is CHQAPFKURRNACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-4-6-11(7-5-2)14(16-3)9-13-8-12(15)10-17-13/h8,10-11,14,16H,4-7,9H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine?
1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine has a molecular weight of 318.32 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine is sourced from PubChem (CID 115847608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).