3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine

C16H21NOS — CID 43480428

IUPAC3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccc(C)s1
InChIInChI=1S/C16H21NOS/c1-12-4-11-16(19-12)15(17-2)10-7-13-5-8-14(18-3)9-6-13/h4-6,8-9,11,15,17H,7,10H2,1-3H3
InChIKeyVUTAGUBJJNKWKT-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.96
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine

3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine (PubChem CID 43480428) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine
PubChem CID43480428
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccc(C)s1
InChIInChI=1S/C16H21NOS/c1-12-4-11-16(19-12)15(17-2)10-7-13-5-8-14(18-3)9-6-13/h4-6,8-9,11,15,17H,7,10H2,1-3H3
InChIKeyVUTAGUBJJNKWKT-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 105161960
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105162051
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446084
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate
CID 25049961
4-ethoxy-N-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 105162024

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine (CID 43480428) is 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine is CNC(CCc1ccc(OC)cc1)c1ccc(C)s1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine?
The InChIKey is VUTAGUBJJNKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-4-11-16(19-12)15(17-2)10-7-13-5-8-14(18-3)9-6-13/h4-6,8-9,11,15,17H,7,10H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine?
3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 43480428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).