1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine

C14H24BrNOS — CID 116717090

IUPAC1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)C(CC)OCC
InChIInChI=1S/C14H24BrNOS/c1-4-9-16-12(13(5-2)17-6-3)10-11-7-8-14(15)18-11/h7-8,12-13,16H,4-6,9-10H2,1-3H3
InChIKeyUJYVCZGPPYHMMS-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.24
Rot. Bonds9

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

1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine (PubChem CID 116717090) has the molecular formula C14H24BrNOS and a molecular weight of 334.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
PubChem CID116717090
Molecular FormulaC14H24BrNOS
Molecular Weight334.32 g/mol
Exact Mass333.08
IUPAC Name1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)C(CC)OCC
InChIInChI=1S/C14H24BrNOS/c1-4-9-16-12(13(5-2)17-6-3)10-11-7-8-14(15)18-11/h7-8,12-13,16H,4-6,9-10H2,1-3H3
InChIKeyUJYVCZGPPYHMMS-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
CID 116716220
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62605837

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine (CID 116717090) is 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine is CCCNC(Cc1ccc(Br)s1)C(CC)OCC.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine?
The InChIKey is UJYVCZGPPYHMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOS/c1-4-9-16-12(13(5-2)17-6-3)10-11-7-8-14(15)18-11/h7-8,12-13,16H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine?
1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine has a molecular weight of 334.32 g/mol, XLogP of 4.24, 9 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-N-propylpentan-2-amine is sourced from PubChem (CID 116717090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).