1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine

C12H20BrNOS — CID 116718957

IUPAC1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(Cc1cc(Br)cs1)NC
InChIInChI=1S/C12H20BrNOS/c1-4-5-12(15-3)11(14-2)7-10-6-9(13)8-16-10/h6,8,11-12,14H,4-5,7H2,1-3H3
InChIKeyWGMRUOWVUDUEQG-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.46
Rot. Bonds7

About 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine

1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine (PubChem CID 116718957) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
PubChem CID116718957
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(Cc1cc(Br)cs1)NC
InChIInChI=1S/C12H20BrNOS/c1-4-5-12(15-3)11(14-2)7-10-6-9(13)8-16-10/h6,8,11-12,14H,4-5,7H2,1-3H3
InChIKeyWGMRUOWVUDUEQG-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine
CID 115847608
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
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
CID 105374363
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718790
[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
CID 105275510
4-[3-methoxy-2-(methylamino)hexyl]pyridin-2-amine
CID 116718992
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
CID 64504462
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine (CID 116718957) is 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine is CCCC(OC)C(Cc1cc(Br)cs1)NC.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine?
The InChIKey is WGMRUOWVUDUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-4-5-12(15-3)11(14-2)7-10-6-9(13)8-16-10/h6,8,11-12,14H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine?
1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine has a molecular weight of 306.27 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 116718957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).