N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine

C15H19NOS — CID 43489387

IUPACN-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1ccsc1
InChIInChI=1S/C15H19NOS/c1-3-16-15(13-9-10-18-11-13)12-5-7-14(8-6-12)17-4-2/h5-11,15-16H,3-4H2,1-2H3
InChIKeyHMYLDTRDMWFLTP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.85
Rot. Bonds6

About N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine

N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 43489387) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID43489387
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1ccsc1
InChIInChI=1S/C15H19NOS/c1-3-16-15(13-9-10-18-11-13)12-5-7-14(8-6-12)17-4-2/h5-11,15-16H,3-4H2,1-2H3
InChIKeyHMYLDTRDMWFLTP-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine (CID 43489387) is N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1ccsc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is HMYLDTRDMWFLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-16-15(13-9-10-18-11-13)12-5-7-14(8-6-12)17-4-2/h5-11,15-16H,3-4H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine?
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 43489387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).