N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

C16H20BrNO2S — CID 107559265

IUPACN-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2ccc(CNC(C)C)s2)c(Br)c1
InChIInChI=1S/C16H20BrNO2S/c1-11(2)18-9-13-5-6-14(21-13)10-20-16-7-4-12(19-3)8-15(16)17/h4-8,11,18H,9-10H2,1-3H3
InChIKeyONSANDPWJFGPPL-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.60
Rot. Bonds7

About N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107559265) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107559265
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC NameN-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(OCc2ccc(CNC(C)C)s2)c(Br)c1
InChIInChI=1S/C16H20BrNO2S/c1-11(2)18-9-13-5-6-14(21-13)10-20-16-7-4-12(19-3)8-15(16)17/h4-8,11,18H,9-10H2,1-3H3
InChIKeyONSANDPWJFGPPL-UHFFFAOYSA-N
XLogP4.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(2-bromo-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558390
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558694
N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558607
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559425
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558732
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537
N-[[5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63019763
2-(2-bromo-4-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 104708530
N-[[5-[(2-bromo-4-methylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558674
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
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-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107559265) is N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is COc1ccc(OCc2ccc(CNC(C)C)s2)c(Br)c1.
What is the InChIKey of N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is ONSANDPWJFGPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-11(2)18-9-13-5-6-14(21-13)10-20-16-7-4-12(19-3)8-15(16)17/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 370.31 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107559265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).