N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine

C16H20BrNO2S — CID 104658274

IUPACN-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OCCOC)c(Br)c1)c1cccs1
InChIInChI=1S/C16H20BrNO2S/c1-3-18-16(15-5-4-10-21-15)12-6-7-14(13(17)11-12)20-9-8-19-2/h4-7,10-11,16,18H,3,8-9H2,1-2H3
InChIKeyQUDKSCYCJQPXMB-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.23
Rot. Bonds8

About N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine

N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine (PubChem CID 104658274) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
PubChem CID104658274
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC NameN-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OCCOC)c(Br)c1)c1cccs1
InChIInChI=1S/C16H20BrNO2S/c1-3-18-16(15-5-4-10-21-15)12-6-7-14(13(17)11-12)20-9-8-19-2/h4-7,10-11,16,18H,3,8-9H2,1-2H3
InChIKeyQUDKSCYCJQPXMB-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpropan-1-amine
CID 104658275
N-[(3-bromo-4-propoxyphenyl)-(5-bromothiophen-3-yl)methyl]ethanamine
CID 107961353
N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 62920874
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
N-[[3-(difluoromethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 43490532
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine (CID 104658274) is N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine is CCNC(c1ccc(OCCOC)c(Br)c1)c1cccs1.
What is the InChIKey of N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
The InChIKey is QUDKSCYCJQPXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-3-18-16(15-5-4-10-21-15)12-6-7-14(13(17)11-12)20-9-8-19-2/h4-7,10-11,16,18H,3,8-9H2,1-2H3.
What are the key properties of N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine?
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine has a molecular weight of 370.31 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(2-methoxyethoxy)phenyl]-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 104658274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).