1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine

C18H25NOS — CID 63775376

IUPAC1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H25NOS/c1-3-12-19-16(8-11-18-5-4-13-21-18)14-15-6-9-17(20-2)10-7-15/h4-7,9-10,13,16,19H,3,8,11-12,14H2,1-2H3
InChIKeyKUZMUTCCOCUEGE-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.30
Rot. Bonds9

About 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine

1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 63775376) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
PubChem CID63775376
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H25NOS/c1-3-12-19-16(8-11-18-5-4-13-21-18)14-15-6-9-17(20-2)10-7-15/h4-7,9-10,13,16,19H,3,8,11-12,14H2,1-2H3
InChIKeyKUZMUTCCOCUEGE-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine (CID 63775376) is 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine is CCCNC(CCc1cccs1)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is KUZMUTCCOCUEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-3-12-19-16(8-11-18-5-4-13-21-18)14-15-6-9-17(20-2)10-7-15/h4-7,9-10,13,16,19H,3,8,11-12,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine?
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63775376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).