(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine

C14H22BrNS — CID 81386958

IUPAC(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C14H22BrNS/c1-10(12-6-4-3-5-7-12)16-11(2)13-8-9-14(15)17-13/h8-12,16H,3-7H2,1-2H3/t10-,11?/m0/s1
InChIKeyNMNYIKQTUGVLAE-VUWPPUDQSA-N
MW316.31 g/mol
LogP5.13
Rot. Bonds4

About (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine

(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine (PubChem CID 81386958) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
PubChem CID81386958
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C14H22BrNS/c1-10(12-6-4-3-5-7-12)16-11(2)13-8-9-14(15)17-13/h8-12,16H,3-7H2,1-2H3/t10-,11?/m0/s1
InChIKeyNMNYIKQTUGVLAE-VUWPPUDQSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.31
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
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
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
N-[1-(5-bromothiophen-2-yl)ethyl]-4-cyclopentylsulfanylaniline
CID 63445692
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine?
The IUPAC name of (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine (CID 81386958) is (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine?
The canonical SMILES for (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine is CC(N[C@@H](C)C1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine?
The InChIKey is NMNYIKQTUGVLAE-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-10(12-6-4-3-5-7-12)16-11(2)13-8-9-14(15)17-13/h8-12,16H,3-7H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine?
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine has a molecular weight of 316.31 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81386958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).