2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

C15H18BrNOS — CID 83141001

IUPAC2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cc(OC(C)CNCc2cccs2)ccc1Br
InChIInChI=1S/C15H18BrNOS/c1-11-8-13(5-6-15(11)16)18-12(2)9-17-10-14-4-3-7-19-14/h3-8,12,17H,9-10H2,1-2H3
InChIKeyOMRYXHHDYZZOKC-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.38
Rot. Bonds6

About 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 83141001) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID83141001
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cc(OC(C)CNCc2cccs2)ccc1Br
InChIInChI=1S/C15H18BrNOS/c1-11-8-13(5-6-15(11)16)18-12(2)9-17-10-14-4-3-7-19-14/h3-8,12,17H,9-10H2,1-2H3
InChIKeyOMRYXHHDYZZOKC-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
2-(4-bromo-3-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 83140097
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116793711
N-[2-(4-bromo-3-methylphenoxy)propyl]aniline
CID 83140021
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 83140591
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 83141001) is 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is Cc1cc(OC(C)CNCc2cccs2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is OMRYXHHDYZZOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11-8-13(5-6-15(11)16)18-12(2)9-17-10-14-4-3-7-19-14/h3-8,12,17H,9-10H2,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 340.29 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 83141001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).