[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine

C14H22BrNS — CID 65395570

IUPAC[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2sccc2Br)CC1
InChIInChI=1S/C14H22BrNS/c1-2-11-3-6-14(10-16,7-4-11)9-13-12(15)5-8-17-13/h5,8,11H,2-4,6-7,9-10,16H2,1H3
InChIKeyRFHXMDWJHMSLSY-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.60
Rot. Bonds4

About [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine

[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 65395570) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID65395570
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2sccc2Br)CC1
InChIInChI=1S/C14H22BrNS/c1-2-11-3-6-14(10-16,7-4-11)9-13-12(15)5-8-17-13/h5,8,11H,2-4,6-7,9-10,16H2,1H3
InChIKeyRFHXMDWJHMSLSY-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine with MolForge

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Related Compounds

[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 62724489
[1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395564
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024242
[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 114934762
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718
1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65149116
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
1-[(3-bromothiophen-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64773953
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053
[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine
CID 83182822
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine (CID 65395570) is [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(Cc2sccc2Br)CC1.
What is the InChIKey of [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is RFHXMDWJHMSLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-2-11-3-6-14(10-16,7-4-11)9-13-12(15)5-8-17-13/h5,8,11H,2-4,6-7,9-10,16H2,1H3.
What are the key properties of [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine?
[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 316.31 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 65395570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).