N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine

C15H19NOS — CID 62565758

IUPACN-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
SMILESc1ccc(COCCNCCc2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-2-5-14(6-3-1)13-17-11-10-16-9-8-15-7-4-12-18-15/h1-7,12,16H,8-11,13H2
InChIKeyUGSMVQDSQIVFQB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.10
Rot. Bonds8

About N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine

N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine (PubChem CID 62565758) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
PubChem CID62565758
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
SMILESc1ccc(COCCNCCc2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-2-5-14(6-3-1)13-17-11-10-16-9-8-15-7-4-12-18-15/h1-7,12,16H,8-11,13H2
InChIKeyUGSMVQDSQIVFQB-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.10
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-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
1-ethyl-3-(2-phenylmethoxyethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111964643
3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106306224
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine (CID 62565758) is N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine is c1ccc(COCCNCCc2cccs2)cc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine?
The InChIKey is UGSMVQDSQIVFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-5-14(6-3-1)13-17-11-10-16-9-8-15-7-4-12-18-15/h1-7,12,16H,8-11,13H2.
What are the key properties of N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine?
N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62565758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).