1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine

C16H21NOS — CID 62090502

IUPAC1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1ccsc1)c1ccccc1OC
InChIInChI=1S/C16H21NOS/c1-4-15(14-7-5-6-8-16(14)18-3)17-12(2)13-9-10-19-11-13/h5-12,15,17H,4H2,1-3H3
InChIKeyKKFAYOAYQXONEO-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.56
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine

1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine (PubChem CID 62090502) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
PubChem CID62090502
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1ccsc1)c1ccccc1OC
InChIInChI=1S/C16H21NOS/c1-4-15(14-7-5-6-8-16(14)18-3)17-12(2)13-9-10-19-11-13/h5-12,15,17H,4H2,1-3H3
InChIKeyKKFAYOAYQXONEO-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 112676995
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
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
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944788
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine (CID 62090502) is 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine is CCC(NC(C)c1ccsc1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is KKFAYOAYQXONEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-15(14-7-5-6-8-16(14)18-3)17-12(2)13-9-10-19-11-13/h5-12,15,17H,4H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine?
1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 62090502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).