2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

C14H22BrNS — CID 63403222

IUPAC2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C14H22BrNS/c1-3-16-14-5-4-10(2)6-11(14)7-13-8-12(15)9-17-13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyORDMEUSKPPTNNT-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.47
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 63403222) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID63403222
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C14H22BrNS/c1-3-16-14-5-4-10(2)6-11(14)7-13-8-12(15)9-17-13/h8-11,14,16H,3-7H2,1-2H3
InChIKeyORDMEUSKPPTNNT-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81032336
3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388
2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401202
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032355
2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 63403346
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N,4-diethylcyclohexan-1-amine
CID 63494795
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63737228
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 63403222) is 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is ORDMEUSKPPTNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-3-16-14-5-4-10(2)6-11(14)7-13-8-12(15)9-17-13/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 4.47, 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-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 63403222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).