2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine

C14H17NOS — CID 62565169

IUPAC2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(COCCNCc2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-2-5-13(6-3-1)12-16-9-8-15-11-14-7-4-10-17-14/h1-7,10,15H,8-9,11-12H2
InChIKeyNGMSJKIXTUGISR-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.05
Rot. Bonds7

About 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine

2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62565169) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62565169
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1ccc(COCCNCc2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-2-5-13(6-3-1)12-16-9-8-15-11-14-7-4-10-17-14/h1-7,10,15H,8-9,11-12H2
InChIKeyNGMSJKIXTUGISR-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.05
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-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
1-ethyl-3-(2-phenylmethoxyethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111964643
2-(thiophen-2-ylmethylamino)ethyl carbamate
CID 83211121
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771
3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106306185
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
1-benzyl-2-(thiophen-2-ylmethyl)hydrazine
CID 90764446

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine (CID 62565169) is 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine is c1ccc(COCCNCc2cccs2)cc1.
What is the InChIKey of 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is NGMSJKIXTUGISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-5-13(6-3-1)12-16-9-8-15-11-14-7-4-10-17-14/h1-7,10,15H,8-9,11-12H2.
What are the key properties of 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine?
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62565169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).