1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine

C15H24BrNS — CID 63451995

IUPAC1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCC1CCC(CNC(C)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-3-12-4-6-13(7-5-12)10-17-11(2)14-8-9-15(16)18-14/h8-9,11-13,17H,3-7,10H2,1-2H3
InChIKeySIVYIXWRYHFHAI-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.38
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine

1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine (PubChem CID 63451995) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine
PubChem CID63451995
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCC1CCC(CNC(C)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-3-12-4-6-13(7-5-12)10-17-11(2)14-8-9-15(16)18-14/h8-9,11-13,17H,3-7,10H2,1-2H3
InChIKeySIVYIXWRYHFHAI-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine with MolForge

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Related Compounds

cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
tert-butyl 3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 107246560
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412059
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 63451778

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine (CID 63451995) is 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine is CCC1CCC(CNC(C)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is SIVYIXWRYHFHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-3-12-4-6-13(7-5-12)10-17-11(2)14-8-9-15(16)18-14/h8-9,11-13,17H,3-7,10H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine?
1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 330.34 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63451995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).