1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine

C12H20BrNOS — CID 103025148

IUPAC1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cc(Br)cs1)CC(C)(C)OC
InChIInChI=1S/C12H20BrNOS/c1-12(2,15-4)7-10(14-3)6-11-5-9(13)8-16-11/h5,8,10,14H,6-7H2,1-4H3
InChIKeyNQVQAIJORZRJTP-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.46
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine

1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 103025148) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
PubChem CID103025148
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cc(Br)cs1)CC(C)(C)OC
InChIInChI=1S/C12H20BrNOS/c1-12(2,15-4)7-10(14-3)6-11-5-9(13)8-16-11/h5,8,10,14H,6-7H2,1-4H3
InChIKeyNQVQAIJORZRJTP-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718957
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 103025022
2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139108
1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724855
1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 62605541
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
[1-(4-bromothiophen-2-yl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
CID 105275510
[1-(4-bromothiophen-2-yl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105299395
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
[1-(4-bromothiophen-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105214014

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine (CID 103025148) is 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine is CNC(Cc1cc(Br)cs1)CC(C)(C)OC.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is NQVQAIJORZRJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-12(2,15-4)7-10(14-3)6-11-5-9(13)8-16-11/h5,8,10,14H,6-7H2,1-4H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine?
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 306.27 g/mol, XLogP of 3.46, 6 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)-4-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 103025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).