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

C15H24BrNS — CID 81032336

IUPACN-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C15H24BrNS/c1-3-17-9-12-5-4-11(2)6-13(12)7-15-8-14(16)10-18-15/h8,10-13,17H,3-7,9H2,1-2H3
InChIKeyFHBNYMRUUGAVFP-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.72
Rot. Bonds5

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

N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 81032336) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
PubChem CID81032336
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC NameN-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C15H24BrNS/c1-3-17-9-12-5-4-11(2)6-13(12)7-15-8-14(16)10-18-15/h8,10-13,17H,3-7,9H2,1-2H3
InChIKeyFHBNYMRUUGAVFP-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032355
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
N-[[2-[(4-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81022554
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031502
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025143
N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031877
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 104813926
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
2-[(4-bromothiophen-2-yl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 81021307
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine (CID 81032336) is N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1Cc1cc(Br)cs1.
What is the InChIKey of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is FHBNYMRUUGAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-3-17-9-12-5-4-11(2)6-13(12)7-15-8-14(16)10-18-15/h8,10-13,17H,3-7,9H2,1-2H3.
What are the key properties of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 330.34 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81032336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).