2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

C14H16BrNOS — CID 55088459

IUPAC2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1ccc(Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-11(9-16-10-14-3-2-8-18-14)17-13-6-4-12(15)5-7-13/h2-8,11,16H,9-10H2,1H3
InChIKeyRJTAGHKCGRSSDC-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 55088459) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID55088459
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1ccc(Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-11(9-16-10-14-3-2-8-18-14)17-13-6-4-12(15)5-7-13/h2-8,11,16H,9-10H2,1H3
InChIKeyRJTAGHKCGRSSDC-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116793711
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
2-(2,3-difluorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63038033
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55092951
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 55088459) is 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is RJTAGHKCGRSSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-11(9-16-10-14-3-2-8-18-14)17-13-6-4-12(15)5-7-13/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 326.26 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55088459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).