N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

C15H19NOS — CID 43489161

IUPACN-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1sccc1C
InChIInChI=1S/C15H19NOS/c1-4-16-14(15-11(2)9-10-18-15)12-5-7-13(17-3)8-6-12/h5-10,14,16H,4H2,1-3H3
InChIKeyPVIIGBNZTPXUPK-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.76
Rot. Bonds5

About N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43489161) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43489161
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1sccc1C
InChIInChI=1S/C15H19NOS/c1-4-16-14(15-11(2)9-10-18-15)12-5-7-13(17-3)8-6-12/h5-10,14,16H,4H2,1-3H3
InChIKeyPVIIGBNZTPXUPK-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 79985142
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105032743
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(3-bromo-5-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 104851277

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (CID 43489161) is N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1sccc1C.
What is the InChIKey of N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is PVIIGBNZTPXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-16-14(15-11(2)9-10-18-15)12-5-7-13(17-3)8-6-12/h5-10,14,16H,4H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43489161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).