2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine

C15H24BrNOS — CID 116766449

IUPAC2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H24BrNOS/c1-11-4-7-15(18-3,8-5-11)14(17-2)10-13-12(16)6-9-19-13/h6,9,11,14,17H,4-5,7-8,10H2,1-3H3
InChIKeyYIRNBEXIMSUQIX-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.24
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine

2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine (PubChem CID 116766449) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
PubChem CID116766449
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1sccc1Br)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H24BrNOS/c1-11-4-7-15(18-3,8-5-11)14(17-2)10-13-12(16)6-9-19-13/h6,9,11,14,17H,4-5,7-8,10H2,1-3H3
InChIKeyYIRNBEXIMSUQIX-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277367
2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
CID 63417537
4-[2-(1-methoxy-4-methylcyclohexyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 116766566
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766528
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
1-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243706
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769276
N-[(1-methoxy-4-methylcyclohexyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116766820
1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine
CID 116766560
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine (CID 116766449) is 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine is CNC(Cc1sccc1Br)C1(OC)CCC(C)CC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
The InChIKey is YIRNBEXIMSUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-11-4-7-15(18-3,8-5-11)14(17-2)10-13-12(16)6-9-19-13/h6,9,11,14,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine?
2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine has a molecular weight of 346.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116766449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).