2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine

C16H19BrClNS — CID 79442751

IUPAC2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)s1)c1cccc(Br)c1
InChIInChI=1S/C16H19BrClNS/c1-11(2)19-10-13(9-15-6-7-16(18)20-15)12-4-3-5-14(17)8-12/h3-8,11,13,19H,9-10H2,1-2H3
InChIKeyHZITWWAGHCKJLM-UHFFFAOYSA-N
MW372.76 g/mol
LogP5.49
Rot. Bonds6

About 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine

2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79442751) has the molecular formula C16H19BrClNS and a molecular weight of 372.76 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79442751
Molecular FormulaC16H19BrClNS
Molecular Weight372.76 g/mol
Exact Mass371.01
IUPAC Name2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)s1)c1cccc(Br)c1
InChIInChI=1S/C16H19BrClNS/c1-11(2)19-10-13(9-15-6-7-16(18)20-15)12-4-3-5-14(17)8-12/h3-8,11,13,19H,9-10H2,1-2H3
InChIKeyHZITWWAGHCKJLM-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79443581
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
2-[(3-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 63521745
2-[3-bromo-2-(3-chlorophenyl)propyl]-5-chlorothiophene
CID 79430000
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
2-(3-bromophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730210
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 79448562
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine (CID 79442751) is 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccc(Cl)s1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is HZITWWAGHCKJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNS/c1-11(2)19-10-13(9-15-6-7-16(18)20-15)12-4-3-5-14(17)8-12/h3-8,11,13,19H,9-10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine?
2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 372.76 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79442751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).