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

C14H17NOS — CID 43178109

IUPACN-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(C)c2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-11(14-4-3-9-17-14)15-10-12-5-7-13(16-2)8-6-12/h3-9,11,15H,10H2,1-2H3
InChIKeyZKTBHVZQVDYHOW-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.61
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43178109) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43178109
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(C)c2cccs2)cc1
InChIInChI=1S/C14H17NOS/c1-11(14-4-3-9-17-14)15-10-12-5-7-13(16-2)8-6-12/h3-9,11,15H,10H2,1-2H3
InChIKeyZKTBHVZQVDYHOW-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182769
1-[(4-methoxyphenyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea
CID 8725605
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 29045722
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
CID 43222470
(1S)-N-(isoquinolin-6-ylmethyl)-1-thiophen-2-ylethanamine
CID 107038718
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine (CID 43178109) is N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine is COc1ccc(CNC(C)c2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZKTBHVZQVDYHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(14-4-3-9-17-14)15-10-12-5-7-13(16-2)8-6-12/h3-9,11,15H,10H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine?
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43178109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).