N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

C15H24BrNOS — CID 103556428

IUPACN-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H24BrNOS/c1-4-8-17-12(10-15(18-3)6-5-7-15)13-9-11(2)14(16)19-13/h9,12,17H,4-8,10H2,1-3H3
InChIKeyBTBGMZCVGDDEBG-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.82
Rot. Bonds7

About N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103556428) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103556428
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC NameN-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H24BrNOS/c1-4-8-17-12(10-15(18-3)6-5-7-15)13-9-11(2)14(16)19-13/h9,12,17H,4-8,10H2,1-3H3
InChIKeyBTBGMZCVGDDEBG-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
N-[1-(3-chloro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 107561577
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
N-[1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556382
N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559256
N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 103559035
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559312
1-(5-bromo-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207729
N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559669
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556467
N-[1-(2,3-dihydrofuran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559989

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103556428) is N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)c1cc(C)c(Br)s1.
What is the InChIKey of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is BTBGMZCVGDDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-4-8-17-12(10-15(18-3)6-5-7-15)13-9-11(2)14(16)19-13/h9,12,17H,4-8,10H2,1-3H3.
What are the key properties of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 346.33 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103556428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).