N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine

C15H19NOS — CID 61065390

IUPACN-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1ccsc1
InChIInChI=1S/C15H19NOS/c1-3-16-15(13-7-8-18-11-13)10-12-5-4-6-14(9-12)17-2/h4-9,11,15-16H,3,10H2,1-2H3
InChIKeyBFLCPPDNZCQXNX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.65
Rot. Bonds6

About N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine

N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine (PubChem CID 61065390) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
PubChem CID61065390
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1ccsc1
InChIInChI=1S/C15H19NOS/c1-3-16-15(13-7-8-18-11-13)10-12-5-4-6-14(9-12)17-2/h4-9,11,15-16H,3,10H2,1-2H3
InChIKeyBFLCPPDNZCQXNX-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802298
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107503839
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 81316183
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine (CID 61065390) is N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine is CCNC(Cc1cccc(OC)c1)c1ccsc1.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine?
The InChIKey is BFLCPPDNZCQXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-16-15(13-7-8-18-11-13)10-12-5-4-6-14(9-12)17-2/h4-9,11,15-16H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine?
N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 61065390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).