2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine

C17H22BrNOS — CID 62718053

IUPAC2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
SMILESCOCCNCC(Cc1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C17H22BrNOS/c1-20-9-8-19-13-15(12-17-3-2-10-21-17)11-14-4-6-16(18)7-5-14/h2-7,10,15,19H,8-9,11-13H2,1H3
InChIKeyJJLXIVMKMOYTQD-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.15
Rot. Bonds9

About 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine

2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 62718053) has the molecular formula C17H22BrNOS and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID62718053
Molecular FormulaC17H22BrNOS
Molecular Weight368.34 g/mol
Exact Mass367.06
IUPAC Name2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
SMILESCOCCNCC(Cc1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C17H22BrNOS/c1-20-9-8-19-13-15(12-17-3-2-10-21-17)11-14-4-6-16(18)7-5-14/h2-7,10,15,19H,8-9,11-13H2,1H3
InChIKeyJJLXIVMKMOYTQD-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.15
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-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62717744
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
2-[(4-methylphenyl)methyl]-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 62515381
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 62514535
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(3-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106456966
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62725841
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine (CID 62718053) is 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine is COCCNCC(Cc1ccc(Br)cc1)Cc1cccs1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is JJLXIVMKMOYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNOS/c1-20-9-8-19-13-15(12-17-3-2-10-21-17)11-14-4-6-16(18)7-5-14/h2-7,10,15,19H,8-9,11-13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine?
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 368.34 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 62718053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).