N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine

C17H23NOS — CID 106792623

IUPACN-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-4-8-18-16(11-14-7-9-20-12-14)15-6-5-13(2)10-17(15)19-3/h5-7,9-10,12,16,18H,4,8,11H2,1-3H3
InChIKeyVSKPWEGYZLDBQN-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.35
Rot. Bonds7

About N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 106792623) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID106792623
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1ccc(C)cc1OC
InChIInChI=1S/C17H23NOS/c1-4-8-18-16(11-14-7-9-20-12-14)15-6-5-13(2)10-17(15)19-3/h5-7,9-10,12,16,18H,4,8,11H2,1-3H3
InChIKeyVSKPWEGYZLDBQN-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61078910
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105178677
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
1-(2-methoxy-4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 106792543

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 106792623) is N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1ccc(C)cc1OC.
What is the InChIKey of N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is VSKPWEGYZLDBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-8-18-16(11-14-7-9-20-12-14)15-6-5-13(2)10-17(15)19-3/h5-7,9-10,12,16,18H,4,8,11H2,1-3H3.
What are the key properties of N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 106792623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).