2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C15H24BrNS — CID 63401772

IUPAC2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C15H24BrNS/c1-10(2)11-4-5-15(17-3)12(6-11)7-14-8-13(16)9-18-14/h8-12,15,17H,4-7H2,1-3H3
InChIKeyHVQUGNIQFLGHTE-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.71
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63401772) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63401772
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C15H24BrNS/c1-10(2)11-4-5-15(17-3)12(6-11)7-14-8-13(16)9-18-14/h8-12,15,17H,4-7H2,1-3H3
InChIKeyHVQUGNIQFLGHTE-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 63401772) is 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is HVQUGNIQFLGHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-10(2)11-4-5-15(17-3)12(6-11)7-14-8-13(16)9-18-14/h8-12,15,17H,4-7H2,1-3H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63401772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).