N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine

C16H21NOS — CID 43093641

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCCc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C16H21NOS/c1-3-15(16-5-4-12-19-16)17-11-10-13-6-8-14(18-2)9-7-13/h4-9,12,15,17H,3,10-11H2,1-2H3
InChIKeyFXCXRSJUZABOQQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine

N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 43093641) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID43093641
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCCc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C16H21NOS/c1-3-15(16-5-4-12-19-16)17-11-10-13-6-8-14(18-2)9-7-13/h4-9,12,15,17H,3,10-11H2,1-2H3
InChIKeyFXCXRSJUZABOQQ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
2-[(1R)-1-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]ethyl]thiophene
CID 99795007
3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
CID 115894417
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 43093641) is N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCCc1ccc(OC)cc1)c1cccs1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is FXCXRSJUZABOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-15(16-5-4-12-19-16)17-11-10-13-6-8-14(18-2)9-7-13/h4-9,12,15,17H,3,10-11H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine?
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43093641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).