1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C15H19NOS — CID 43180928

IUPAC1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1ccc(C)s1
InChIInChI=1S/C15H19NOS/c1-11-8-9-13(18-11)10-16-12(2)14-6-4-5-7-15(14)17-3/h4-9,12,16H,10H2,1-3H3
InChIKeyVLVOZMMTCDCMIJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.92
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43180928) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43180928
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1ccc(C)s1
InChIInChI=1S/C15H19NOS/c1-11-8-9-13(18-11)10-16-12(2)14-6-4-5-7-15(14)17-3/h4-9,12,16H,10H2,1-3H3
InChIKeyVLVOZMMTCDCMIJ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
1-(2-methoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651493
(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 97228607
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545419
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 43180928) is 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is COc1ccccc1C(C)NCc1ccc(C)s1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is VLVOZMMTCDCMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-8-9-13(18-11)10-16-12(2)14-6-4-5-7-15(14)17-3/h4-9,12,16H,10H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43180928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).