1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine

C14H24BrNOS — CID 116724855

IUPAC1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(Br)cs1)C(OC)C(C)(C)C
InChIInChI=1S/C14H24BrNOS/c1-6-16-12(13(17-5)14(2,3)4)8-11-7-10(15)9-18-11/h7,9,12-13,16H,6,8H2,1-5H3
InChIKeyYDEKRNJEIZDRNU-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.09
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine

1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine (PubChem CID 116724855) has the molecular formula C14H24BrNOS and a molecular weight of 334.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
PubChem CID116724855
Molecular FormulaC14H24BrNOS
Molecular Weight334.32 g/mol
Exact Mass333.08
IUPAC Name1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(Br)cs1)C(OC)C(C)(C)C
InChIInChI=1S/C14H24BrNOS/c1-6-16-12(13(17-5)14(2,3)4)8-11-7-10(15)9-18-11/h7,9,12-13,16H,6,8H2,1-5H3
InChIKeyYDEKRNJEIZDRNU-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(4-bromothiophen-2-yl)-3-methoxy-N-methylhexan-2-amine
CID 116718957
1-(4-bromothiophen-2-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103025148
1-(4-bromothiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 62605541
N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724680
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724752
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 103049142
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
1-(4-bromothiophen-2-yl)-N-methyl-3-propylhexan-2-amine
CID 115847608
4-(4-bromothiophen-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015481
2-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139108

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine (CID 116724855) is 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine is CCNC(Cc1cc(Br)cs1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The InChIKey is YDEKRNJEIZDRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOS/c1-6-16-12(13(17-5)14(2,3)4)8-11-7-10(15)9-18-11/h7,9,12-13,16H,6,8H2,1-5H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine has a molecular weight of 334.32 g/mol, XLogP of 4.09, 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)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116724855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).