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

C15H19NOS — CID 55007060

IUPACN-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1sccc1C
InChIInChI=1S/C15H19NOS/c1-4-16-14(15-11(2)8-9-18-15)12-6-5-7-13(10-12)17-3/h5-10,14,16H,4H2,1-3H3
InChIKeyGZXYTLLLOZFPKT-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.76
Rot. Bonds5

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

N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 55007060) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID55007060
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1sccc1C
InChIInChI=1S/C15H19NOS/c1-4-16-14(15-11(2)8-9-18-15)12-6-5-7-13(10-12)17-3/h5-10,14,16H,4H2,1-3H3
InChIKeyGZXYTLLLOZFPKT-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-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
CID 78973953
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(3-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methyl]ethanamine
CID 80528916
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (CID 55007060) is N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1sccc1C.
What is the InChIKey of N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is GZXYTLLLOZFPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-16-14(15-11(2)8-9-18-15)12-6-5-7-13(10-12)17-3/h5-10,14,16H,4H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(3-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-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 55007060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).