N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C18H25NOS — CID 43783277

IUPACN-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C(C)C)c1ccccc1OC
InChIInChI=1S/C18H25NOS/c1-5-15(14-9-6-7-10-16(14)20-4)19-18(13(2)3)17-11-8-12-21-17/h6-13,15,18-19H,5H2,1-4H3
InChIKeyWGFFPPXOTPILPZ-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.19
Rot. Bonds7

About N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43783277) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43783277
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C(C)C)c1ccccc1OC
InChIInChI=1S/C18H25NOS/c1-5-15(14-9-6-7-10-16(14)20-4)19-18(13(2)3)17-11-8-12-21-17/h6-13,15,18-19H,5H2,1-4H3
InChIKeyWGFFPPXOTPILPZ-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43723054
1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090502
N-[1-(2-methoxyphenyl)propan-2-yl]-1-thiophen-2-ylpropan-1-amine
CID 60936190
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944788
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 43783277) is N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CCC(NC(c1cccs1)C(C)C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is WGFFPPXOTPILPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-15(14-9-6-7-10-16(14)20-4)19-18(13(2)3)17-11-8-12-21-17/h6-13,15,18-19H,5H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43783277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).