N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine

C15H19NOS — CID 63776029

IUPACN-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCc2cccs2)c1
InChIInChI=1S/C15H19NOS/c1-2-16-12-13-5-3-6-14(11-13)17-9-8-15-7-4-10-18-15/h3-7,10-11,16H,2,8-9,12H2,1H3
InChIKeyZJZSPRXAZPWEJE-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.48
Rot. Bonds7

About N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine

N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 63776029) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
PubChem CID63776029
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCc2cccs2)c1
InChIInChI=1S/C15H19NOS/c1-2-16-12-13-5-3-6-14(11-13)17-9-8-15-7-4-10-18-15/h3-7,10-11,16H,2,8-9,12H2,1H3
InChIKeyZJZSPRXAZPWEJE-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798947
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine (CID 63776029) is N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OCCc2cccs2)c1.
What is the InChIKey of N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is ZJZSPRXAZPWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-16-12-13-5-3-6-14(11-13)17-9-8-15-7-4-10-18-15/h3-7,10-11,16H,2,8-9,12H2,1H3.
What are the key properties of N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine?
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63776029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).