(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine

C13H20BrNS — CID 81394247

IUPAC(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1sccc1Br
InChIInChI=1S/C13H20BrNS/c1-9(11-5-3-4-6-11)15-10(2)13-12(14)7-8-16-13/h7-11,15H,3-6H2,1-2H3/t9-,10?/m1/s1
InChIKeyGYIQKLQDHHHXNQ-YHMJZVADSA-N
MW302.28 g/mol
LogP4.74
Rot. Bonds4

About (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine

(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine (PubChem CID 81394247) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
PubChem CID81394247
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1sccc1Br
InChIInChI=1S/C13H20BrNS/c1-9(11-5-3-4-6-11)15-10(2)13-12(14)7-8-16-13/h7-11,15H,3-6H2,1-2H3/t9-,10?/m1/s1
InChIKeyGYIQKLQDHHHXNQ-YHMJZVADSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine?
The IUPAC name of (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine (CID 81394247) is (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine?
The canonical SMILES for (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine is CC(N[C@H](C)C1CCCC1)c1sccc1Br.
What is the InChIKey of (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine?
The InChIKey is GYIQKLQDHHHXNQ-YHMJZVADSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-9(11-5-3-4-6-11)15-10(2)13-12(14)7-8-16-13/h7-11,15H,3-6H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine?
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine has a molecular weight of 302.28 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine is sourced from PubChem (CID 81394247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).