1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine

C12H20BrNOS — CID 105134900

IUPAC1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-3-14-10(7-8-15-4-2)9-11-5-6-12(13)16-11/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyORXYMUNFEGXHPS-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.46
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine

1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine (PubChem CID 105134900) has the molecular formula C12H20BrNOS and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
PubChem CID105134900
Molecular FormulaC12H20BrNOS
Molecular Weight306.27 g/mol
Exact Mass305.04
IUPAC Name1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1ccc(Br)s1
InChIInChI=1S/C12H20BrNOS/c1-3-14-10(7-8-15-4-2)9-11-5-6-12(13)16-11/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyORXYMUNFEGXHPS-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 63891302
1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 115601848
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105174695
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine (CID 105134900) is 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine is CCNC(CCOCC)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine?
The InChIKey is ORXYMUNFEGXHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOS/c1-3-14-10(7-8-15-4-2)9-11-5-6-12(13)16-11/h5-6,10,14H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine?
1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine has a molecular weight of 306.27 g/mol, XLogP of 3.46, 8 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)-4-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 105134900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).