1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine

C15H24BrNOS — CID 116770817

IUPAC1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2sccc2Br)CCCCCC1
InChIInChI=1S/C15H24BrNOS/c1-3-18-15(9-6-4-5-7-10-15)14(17-2)13-12(16)8-11-19-13/h8,11,14,17H,3-7,9-10H2,1-2H3
InChIKeyCFIPGDPDSFKKCH-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.90
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine (PubChem CID 116770817) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
PubChem CID116770817
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2sccc2Br)CCCCCC1
InChIInChI=1S/C15H24BrNOS/c1-3-18-15(9-6-4-5-7-10-15)14(17-2)13-12(16)8-11-19-13/h8,11,14,17H,3-7,9-10H2,1-2H3
InChIKeyCFIPGDPDSFKKCH-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762885
1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 80535227
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761996
[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277390
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-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine (CID 116770817) is 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine is CCOC1(C(NC)c2sccc2Br)CCCCCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
The InChIKey is CFIPGDPDSFKKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-3-18-15(9-6-4-5-7-10-15)14(17-2)13-12(16)8-11-19-13/h8,11,14,17H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine has a molecular weight of 346.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 116770817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).