N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

C15H18BrNOS — CID 107558607

IUPACN-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cccc(Br)c2)s1
InChIInChI=1S/C15H18BrNOS/c1-11(2)17-9-14-6-7-15(19-14)10-18-13-5-3-4-12(16)8-13/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZFCKJYCMAFCMJC-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.59
Rot. Bonds6

About N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107558607) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107558607
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cccc(Br)c2)s1
InChIInChI=1S/C15H18BrNOS/c1-11(2)17-9-14-6-7-15(19-14)10-18-13-5-3-4-12(16)8-13/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZFCKJYCMAFCMJC-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63498401
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558694
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559265
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559425
N-[[5-[(2-bromo-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558390
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
N-[[5-(3-bromophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620198
N-[[3-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486876
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558732
N-[[5-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557957

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107558607) is N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(COc2cccc(Br)c2)s1.
What is the InChIKey of N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is ZFCKJYCMAFCMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-11(2)17-9-14-6-7-15(19-14)10-18-13-5-3-4-12(16)8-13/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107558607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).