[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine

C12H18BrNS — CID 81010319

IUPAC[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2sccc2Br)C1
InChIInChI=1S/C12H18BrNS/c1-8-2-3-9(7-14)10(6-8)12-11(13)4-5-15-12/h4-5,8-10H,2-3,6-7,14H2,1H3
InChIKeyRCLWNLMZKMTLLQ-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.99
Rot. Bonds2

About [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine

[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine (PubChem CID 81010319) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine
PubChem CID81010319
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2sccc2Br)C1
InChIInChI=1S/C12H18BrNS/c1-8-2-3-9(7-14)10(6-8)12-11(13)4-5-15-12/h4-5,8-10H,2-3,6-7,14H2,1H3
InChIKeyRCLWNLMZKMTLLQ-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine (CID 81010319) is [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(c2sccc2Br)C1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is RCLWNLMZKMTLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-8-2-3-9(7-14)10(6-8)12-11(13)4-5-15-12/h4-5,8-10H,2-3,6-7,14H2,1H3.
What are the key properties of [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine?
[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 288.25 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81010319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).