1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine

C12H20BrNOS — CID 116758429

IUPAC1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-4-12(3,15-5-2)10(14)8-9-6-7-11(13)16-9/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyLWYHJKCWGKNZEW-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.59
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine

1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine (PubChem CID 116758429) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
PubChem CID116758429
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-4-12(3,15-5-2)10(14)8-9-6-7-11(13)16-9/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyLWYHJKCWGKNZEW-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
CID 116716220
3-ethoxy-1-(2-methoxy-5-methylphenyl)-3-methylpentan-2-amine
CID 116758615
1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
CID 116715037
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
CID 116758668
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630
4-amino-1-(5-bromothiophen-2-yl)-5,5-dimethylhexan-2-one
CID 116608350
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine (CID 116758429) is 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine is CCOC(C)(CC)C(N)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
The InChIKey is LWYHJKCWGKNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-4-12(3,15-5-2)10(14)8-9-6-7-11(13)16-9/h6-7,10H,4-5,8,14H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine has a molecular weight of 306.27 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116758429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).