N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine

C13H20BrNS — CID 63478526

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
SMILESCC(NCc1cc(Br)cs1)C1CCCCC1
InChIInChI=1S/C13H20BrNS/c1-10(11-5-3-2-4-6-11)15-8-13-7-12(14)9-16-13/h7,9-11,15H,2-6,8H2,1H3
InChIKeyNCDCEZDTJOWPSZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.57
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine

N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine (PubChem CID 63478526) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
PubChem CID63478526
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
SMILESCC(NCc1cc(Br)cs1)C1CCCCC1
InChIInChI=1S/C13H20BrNS/c1-10(11-5-3-2-4-6-11)15-8-13-7-12(14)9-16-13/h7,9-11,15H,2-6,8H2,1H3
InChIKeyNCDCEZDTJOWPSZ-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
CID 115768375
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine (CID 63478526) is N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine is CC(NCc1cc(Br)cs1)C1CCCCC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine?
The InChIKey is NCDCEZDTJOWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-10(11-5-3-2-4-6-11)15-8-13-7-12(14)9-16-13/h7,9-11,15H,2-6,8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine has a molecular weight of 302.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 63478526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).