2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine

C16H26BrNOS — CID 116769276

IUPAC2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H26BrNOS/c1-15(2)7-9-16(19-4,10-8-15)13(18-3)11-12-5-6-14(17)20-12/h5-6,13,18H,7-11H2,1-4H3
InChIKeyKVOLJDCIXWABOZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.63
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine

2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 116769276) has the molecular formula C16H26BrNOS and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
PubChem CID116769276
Molecular FormulaC16H26BrNOS
Molecular Weight360.36 g/mol
Exact Mass359.09
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H26BrNOS/c1-15(2)7-9-16(19-4,10-8-15)13(18-3)11-12-5-6-14(17)20-12/h5-6,13,18H,7-11H2,1-4H3
InChIKeyKVOLJDCIXWABOZ-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
CID 116769301
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116769249
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769462
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(3-bromothiophen-2-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116766449
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769036
2-cyclobutyl-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769375

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine (CID 116769276) is 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine is CNC(Cc1ccc(Br)s1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is KVOLJDCIXWABOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNOS/c1-15(2)7-9-16(19-4,10-8-15)13(18-3)11-12-5-6-14(17)20-12/h5-6,13,18H,7-11H2,1-4H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine?
2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 360.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116769276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).