1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine

C15H24BrNS — CID 107354393

IUPAC1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
SMILESCC1CCC(CCNC(C)c2cc(Br)cs2)CC1
InChIInChI=1S/C15H24BrNS/c1-11-3-5-13(6-4-11)7-8-17-12(2)15-9-14(16)10-18-15/h9-13,17H,3-8H2,1-2H3
InChIKeyYNKHLZDEBOVWGY-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.38
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine (PubChem CID 107354393) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
PubChem CID107354393
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
SMILESCC1CCC(CCNC(C)c2cc(Br)cs2)CC1
InChIInChI=1S/C15H24BrNS/c1-11-3-5-13(6-4-11)7-8-17-12(2)15-9-14(16)10-18-15/h9-13,17H,3-8H2,1-2H3
InChIKeyYNKHLZDEBOVWGY-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

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 107354247
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 64776273
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine
CID 107354387
N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[(1R)-1-(4-bromothiophen-2-yl)ethyl]-3-(oxan-4-yloxy)propan-1-amine
CID 129403077
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine (CID 107354393) is 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine is CC1CCC(CCNC(C)c2cc(Br)cs2)CC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine?
The InChIKey is YNKHLZDEBOVWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-11-3-5-13(6-4-11)7-8-17-12(2)15-9-14(16)10-18-15/h9-13,17H,3-8H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]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-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine is sourced from PubChem (CID 107354393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).