N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine

C16H26BrNOS — CID 103163194

IUPACN-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)c1cc(Br)sc1C
InChIInChI=1S/C16H26BrNOS/c1-4-6-18-15(14-10-16(17)20-11(14)3)9-12-7-13(8-12)19-5-2/h10,12-13,15,18H,4-9H2,1-3H3
InChIKeyOFANSWBPUHCWIS-UHFFFAOYSA-N
MW360.36 g/mol
LogP5.06
Rot. Bonds8

About N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine

N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103163194) has the molecular formula C16H26BrNOS and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103163194
Molecular FormulaC16H26BrNOS
Molecular Weight360.36 g/mol
Exact Mass359.09
IUPAC NameN-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)c1cc(Br)sc1C
InChIInChI=1S/C16H26BrNOS/c1-4-6-18-15(14-10-16(17)20-11(14)3)9-12-7-13(8-12)19-5-2/h10,12-13,15,18H,4-9H2,1-3H3
InChIKeyOFANSWBPUHCWIS-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163193
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 103168245
2,5-dibromo-3-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]thiophene
CID 103165824
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 103170881
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169804
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
N-[(5-bromo-2-methylthiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66475549
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
N-[1-cyclopropyl-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103168873

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine (CID 103163194) is N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1CC(OCC)C1)c1cc(Br)sc1C.
What is the InChIKey of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is OFANSWBPUHCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNOS/c1-4-6-18-15(14-10-16(17)20-11(14)3)9-12-7-13(8-12)19-5-2/h10,12-13,15,18H,4-9H2,1-3H3.
What are the key properties of N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 360.36 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103163194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).