1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine

C13H20BrNOS — CID 116761996

IUPAC1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cscc2Br)CCCC1
InChIInChI=1S/C13H20BrNOS/c1-3-16-13(6-4-5-7-13)12(15-2)10-8-17-9-11(10)14/h8-9,12,15H,3-7H2,1-2H3
InChIKeyAXMFBSGGTRFPET-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine

1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (PubChem CID 116761996) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
PubChem CID116761996
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cscc2Br)CCCC1
InChIInChI=1S/C13H20BrNOS/c1-3-16-13(6-4-5-7-13)12(15-2)10-8-17-9-11(10)14/h8-9,12,15H,3-7H2,1-2H3
InChIKeyAXMFBSGGTRFPET-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
3-[(1-ethoxycyclopentyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 116761829
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
CID 112745561
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (CID 116761996) is 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is CCOC1(C(NC)c2cscc2Br)CCCC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The InChIKey is AXMFBSGGTRFPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-3-16-13(6-4-5-7-13)12(15-2)10-8-17-9-11(10)14/h8-9,12,15H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine has a molecular weight of 318.28 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 116761996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).