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

C13H20BrNOS — CID 116762885

IUPAC1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1sccc1Br)C1(OC)CCCCC1
InChIInChI=1S/C13H20BrNOS/c1-15-12(11-10(14)6-9-17-11)13(16-2)7-4-3-5-8-13/h6,9,12,15H,3-5,7-8H2,1-2H3
InChIKeyCLICTCSHZXYTBC-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.12
Rot. Bonds4

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

1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (PubChem CID 116762885) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
PubChem CID116762885
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1sccc1Br)C1(OC)CCCCC1
InChIInChI=1S/C13H20BrNOS/c1-15-12(11-10(14)6-9-17-11)13(16-2)7-4-3-5-8-13/h6,9,12,15H,3-5,7-8H2,1-2H3
InChIKeyCLICTCSHZXYTBC-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 116762604
1-(3-bromothiophen-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 80535227
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 107360272
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (CID 116762885) is 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine is CNC(c1sccc1Br)C1(OC)CCCCC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The InChIKey is CLICTCSHZXYTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-15-12(11-10(14)6-9-17-11)13(16-2)7-4-3-5-8-13/h6,9,12,15H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine has a molecular weight of 318.28 g/mol, XLogP of 4.12, 4 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-methoxycyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116762885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).