N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C15H18BrNOS — CID 65323547

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCOc1ccc(Br)c(CNC(C)Cc2ccsc2)c1
InChIInChI=1S/C15H18BrNOS/c1-11(7-12-5-6-19-10-12)17-9-13-8-14(18-2)3-4-15(13)16/h3-6,8,10-11,17H,7,9H2,1-2H3
InChIKeyBBXYUWOENFZHHB-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.24
Rot. Bonds6

About N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 65323547) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID65323547
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCOc1ccc(Br)c(CNC(C)Cc2ccsc2)c1
InChIInChI=1S/C15H18BrNOS/c1-11(7-12-5-6-19-10-12)17-9-13-8-14(18-2)3-4-15(13)16/h3-6,8,10-11,17H,7,9H2,1-2H3
InChIKeyBBXYUWOENFZHHB-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222636
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224119
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221739
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54953234
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chlorobutan-2-amine
CID 83186503
2-N-[(2-bromo-5-methoxyphenyl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 65324217
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
N-[(2-bromo-4-nitrophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61474161
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
6-[(2-bromo-5-methoxyphenyl)methylamino]-2-methylheptanoic acid
CID 65322752
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 65323547) is N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine is COc1ccc(Br)c(CNC(C)Cc2ccsc2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is BBXYUWOENFZHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(7-12-5-6-19-10-12)17-9-13-8-14(18-2)3-4-15(13)16/h3-6,8,10-11,17H,7,9H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 65323547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).