4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine

C18H25NOS — CID 61473299

IUPAC4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)Cc2ccsc2)cc1
InChIInChI=1S/C18H25NOS/c1-14(19-15(2)12-17-10-11-21-13-17)4-5-16-6-8-18(20-3)9-7-16/h6-11,13-15,19H,4-5,12H2,1-3H3
InChIKeyANPFHVDSXVFZPC-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.30
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine

4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine (PubChem CID 61473299) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
PubChem CID61473299
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
SMILESCOc1ccc(CCC(C)NC(C)Cc2ccsc2)cc1
InChIInChI=1S/C18H25NOS/c1-14(19-15(2)12-17-10-11-21-13-17)4-5-16-6-8-18(20-3)9-7-16/h6-11,13-15,19H,4-5,12H2,1-3H3
InChIKeyANPFHVDSXVFZPC-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-methyl-1-thiophen-3-ylbutan-2-amine
CID 61078016
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine (CID 61473299) is 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine is COc1ccc(CCC(C)NC(C)Cc2ccsc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine?
The InChIKey is ANPFHVDSXVFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-14(19-15(2)12-17-10-11-21-13-17)4-5-16-6-8-18(20-3)9-7-16/h6-11,13-15,19H,4-5,12H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine?
4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine is sourced from PubChem (CID 61473299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).