(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine

C14H15BrClNS — CID 81377961

IUPAC(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccccc1Br)c1ccc(Cl)s1
InChIInChI=1S/C14H15BrClNS/c1-9(11-5-3-4-6-12(11)15)17-10(2)13-7-8-14(16)18-13/h3-10,17H,1-2H3/t9-,10?/m1/s1
InChIKeyFBNJSMSIYIQBII-YHMJZVADSA-N
MW344.71 g/mol
LogP5.58
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine (PubChem CID 81377961) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
PubChem CID81377961
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccccc1Br)c1ccc(Cl)s1
InChIInChI=1S/C14H15BrClNS/c1-9(11-5-3-4-6-12(11)15)17-10(2)13-7-8-14(16)18-13/h3-10,17H,1-2H3/t9-,10?/m1/s1
InChIKeyFBNJSMSIYIQBII-YHMJZVADSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[1-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 81378370
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-bromophenyl)ethanamine
CID 104982881
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
(1R)-1-(2-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103906295
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine (CID 81377961) is (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine is CC(N[C@H](C)c1ccccc1Br)c1ccc(Cl)s1.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The InChIKey is FBNJSMSIYIQBII-YHMJZVADSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-9(11-5-3-4-6-12(11)15)17-10(2)13-7-8-14(16)18-13/h3-10,17H,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine has a molecular weight of 344.71 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81377961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).