2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine

C16H19Br2NOS — CID 79431151

IUPAC2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C16H19Br2NOS/c1-20-6-5-19-10-13(8-16-9-15(18)11-21-16)12-3-2-4-14(17)7-12/h2-4,7,9,11,13,19H,5-6,8,10H2,1H3
InChIKeyJHSVHVJWLOVMSV-UHFFFAOYSA-N
MW433.21 g/mol
LogP4.84
Rot. Bonds8

About 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine

2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 79431151) has the molecular formula C16H19Br2NOS and a molecular weight of 433.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID79431151
Molecular FormulaC16H19Br2NOS
Molecular Weight433.21 g/mol
Exact Mass430.96
IUPAC Name2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(Cc1cc(Br)cs1)c1cccc(Br)c1
InChIInChI=1S/C16H19Br2NOS/c1-20-6-5-19-10-13(8-16-9-15(18)11-21-16)12-3-2-4-14(17)7-12/h2-4,7,9,11,13,19H,5-6,8,10H2,1H3
InChIKeyJHSVHVJWLOVMSV-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.21
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79443581
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82929807
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457166
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine
CID 83183304
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine (CID 79431151) is 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(Cc1cc(Br)cs1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is JHSVHVJWLOVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NOS/c1-20-6-5-19-10-13(8-16-9-15(18)11-21-16)12-3-2-4-14(17)7-12/h2-4,7,9,11,13,19H,5-6,8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine?
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 433.21 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 79431151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).