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

C18H25NOS — CID 61064106

IUPAC4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C18H25NOS/c1-3-12-19-16(14-18-5-4-13-21-18)9-6-15-7-10-17(20-2)11-8-15/h4-5,7-8,10-11,13,16,19H,3,6,9,12,14H2,1-2H3
InChIKeyJOGSCWDYBXRXIO-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.30
Rot. Bonds9

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

4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine (PubChem CID 61064106) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
PubChem CID61064106
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1ccc(OC)cc1)Cc1cccs1
InChIInChI=1S/C18H25NOS/c1-3-12-19-16(14-18-5-4-13-21-18)9-6-15-7-10-17(20-2)11-8-15/h4-5,7-8,10-11,13,16,19H,3,6,9,12,14H2,1-2H3
InChIKeyJOGSCWDYBXRXIO-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

1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417309

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine (CID 61064106) is 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine is CCCNC(CCc1ccc(OC)cc1)Cc1cccs1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine?
The InChIKey is JOGSCWDYBXRXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-3-12-19-16(14-18-5-4-13-21-18)9-6-15-7-10-17(20-2)11-8-15/h4-5,7-8,10-11,13,16,19H,3,6,9,12,14H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine?
4-(4-methoxyphenyl)-N-propyl-1-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 4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 61064106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).