1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine

C13H12BrClFNS — CID 55145225

IUPAC1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESNC(Cc1cc(Br)cs1)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12BrClFNS/c14-8-4-10(18-7-8)5-9(17)6-11-12(15)2-1-3-13(11)16/h1-4,7,9H,5-6,17H2
InChIKeyLECAYVDXEUATCL-UHFFFAOYSA-N
MW348.67 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine

1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine (PubChem CID 55145225) has the molecular formula C13H12BrClFNS and a molecular weight of 348.67 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
PubChem CID55145225
Molecular FormulaC13H12BrClFNS
Molecular Weight348.67 g/mol
Exact Mass346.95
IUPAC Name1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESNC(Cc1cc(Br)cs1)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12BrClFNS/c14-8-4-10(18-7-8)5-9(17)6-11-12(15)2-1-3-13(11)16/h1-4,7,9H,5-6,17H2
InChIKeyLECAYVDXEUATCL-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 63024382
1-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 61079951
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 102827194
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
2-(4-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712259
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine (CID 55145225) is 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine is NC(Cc1cc(Br)cs1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The InChIKey is LECAYVDXEUATCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFNS/c14-8-4-10(18-7-8)5-9(17)6-11-12(15)2-1-3-13(11)16/h1-4,7,9H,5-6,17H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine has a molecular weight of 348.67 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55145225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).