2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine

C16H26BrNS — CID 65423025

IUPAC2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(Br)s1)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H26BrNS/c1-11(2)12-4-6-13(7-5-12)15(18-3)10-14-8-9-16(17)19-14/h8-9,11-13,15,18H,4-7,10H2,1-3H3
InChIKeyGTCRZXRDQZHYRX-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.10
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 65423025) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID65423025
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCNC(Cc1ccc(Br)s1)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H26BrNS/c1-11(2)12-4-6-13(7-5-12)15(18-3)10-14-8-9-16(17)19-14/h8-9,11-13,15,18H,4-7,10H2,1-3H3
InChIKeyGTCRZXRDQZHYRX-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-bromothiophen-2-yl)-1-cyclopropylethyl]hydrazine
CID 105202339
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
CID 64917586
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
[2-(5-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233392
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 65423025) is 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine is CNC(Cc1ccc(Br)s1)C1CCC(C(C)C)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is GTCRZXRDQZHYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-11(2)12-4-6-13(7-5-12)15(18-3)10-14-8-9-16(17)19-14/h8-9,11-13,15,18H,4-7,10H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 344.36 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 65423025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).