N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine

C15H18ClNOS — CID 65125134

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc(COCCNCCc2cccs2)cc1
InChIInChI=1S/C15H18ClNOS/c16-14-5-3-13(4-6-14)12-18-10-9-17-8-7-15-2-1-11-19-15/h1-6,11,17H,7-10,12H2
InChIKeyWUWQTIQGLMNSSF-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.75
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine

N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine (PubChem CID 65125134) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
PubChem CID65125134
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc(COCCNCCc2cccs2)cc1
InChIInChI=1S/C15H18ClNOS/c16-14-5-3-13(4-6-14)12-18-10-9-17-8-7-15-2-1-11-19-15/h1-6,11,17H,7-10,12H2
InChIKeyWUWQTIQGLMNSSF-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.75
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

N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
CID 62565758
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557056
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106306224
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine (CID 65125134) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine is Clc1ccc(COCCNCCc2cccs2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is WUWQTIQGLMNSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-14-5-3-13(4-6-14)12-18-10-9-17-8-7-15-2-1-11-19-15/h1-6,11,17H,7-10,12H2.
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 295.84 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 65125134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).