3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine

C16H26BrNOS — CID 116771653

IUPAC3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)C(OC)C1CCCCC1
InChIInChI=1S/C16H26BrNOS/c1-3-18-14(11-13-9-10-15(17)20-13)16(19-2)12-7-5-4-6-8-12/h9-10,12,14,16,18H,3-8,11H2,1-2H3
InChIKeyHHLMQMSBUKBPQL-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.63
Rot. Bonds7

About 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine

3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine (PubChem CID 116771653) has the molecular formula C16H26BrNOS and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine
PubChem CID116771653
Molecular FormulaC16H26BrNOS
Molecular Weight360.36 g/mol
Exact Mass359.09
IUPAC Name3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)C(OC)C1CCCCC1
InChIInChI=1S/C16H26BrNOS/c1-3-18-14(11-13-9-10-15(17)20-13)16(19-2)12-7-5-4-6-8-12/h9-10,12,14,16,18H,3-8,11H2,1-2H3
InChIKeyHHLMQMSBUKBPQL-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

[3-(5-bromothiophen-2-yl)-1-cyclopropyl-1-ethoxypropan-2-yl]hydrazine
CID 105272973
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116722677
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328636
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610
1-cyclohexyl-3-(furan-2-yl)-1-methoxy-N-propylpropan-2-amine
CID 116771852
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700
1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
CID 106646184

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine (CID 116771653) is 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine is CCNC(Cc1ccc(Br)s1)C(OC)C1CCCCC1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is HHLMQMSBUKBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNOS/c1-3-18-14(11-13-9-10-15(17)20-13)16(19-2)12-7-5-4-6-8-12/h9-10,12,14,16,18H,3-8,11H2,1-2H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine?
3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 360.36 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-cyclohexyl-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 116771653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).