(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine

C14H15Br2NS — CID 81383637

IUPAC(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-9(11-5-3-4-6-12(11)15)17-10(2)14-13(16)7-8-18-14/h3-10,17H,1-2H3/t9-,10?/m0/s1
InChIKeyUGNXJNLMQVLWDG-RGURZIINSA-N
MW389.16 g/mol
LogP5.68
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine

(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine (PubChem CID 81383637) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
PubChem CID81383637
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)c1sccc1Br
InChIInChI=1S/C14H15Br2NS/c1-9(11-5-3-4-6-12(11)15)17-10(2)14-13(16)7-8-18-14/h3-10,17H,1-2H3/t9-,10?/m0/s1
InChIKeyUGNXJNLMQVLWDG-RGURZIINSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397385
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43766775
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
(1R)-1-(2-bromophenyl)-N-[1-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 81378370
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
(1S)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81345327
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
CID 62672499

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine (CID 81383637) is (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine is CC(N[C@@H](C)c1ccccc1Br)c1sccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine?
The InChIKey is UGNXJNLMQVLWDG-RGURZIINSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-9(11-5-3-4-6-12(11)15)17-10(2)14-13(16)7-8-18-14/h3-10,17H,1-2H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine?
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81383637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).