N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine

C15H19NOS — CID 134794915

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-12(15-5-4-10-18-15)16(2)11-13-6-8-14(17-3)9-7-13/h4-10,12H,11H2,1-3H3
InChIKeyMWNLZXHFLBPWEZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.95
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine

N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 134794915) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID134794915
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CN(C)C(C)c2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-12(15-5-4-10-18-15)16(2)11-13-6-8-14(17-3)9-7-13/h4-10,12H,11H2,1-3H3
InChIKeyMWNLZXHFLBPWEZ-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570531
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
N-(4-methoxyphenoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 175823189
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
CID 99795007
(1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 25298863
3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
CID 107208320

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 134794915) is N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine is COc1ccc(CN(C)C(C)c2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is MWNLZXHFLBPWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12(15-5-4-10-18-15)16(2)11-13-6-8-14(17-3)9-7-13/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 134794915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).