4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine

C15H19NOS — CID 112516897

IUPAC4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
SMILESCc1cccc(OCC(CCN)c2cccs2)c1
InChIInChI=1S/C15H19NOS/c1-12-4-2-5-14(10-12)17-11-13(7-8-16)15-6-3-9-18-15/h2-6,9-10,13H,7-8,11,16H2,1H3
InChIKeyOZKPRVZQPYLBLM-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.57
Rot. Bonds6

About 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine

4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine (PubChem CID 112516897) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
PubChem CID112516897
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
SMILESCc1cccc(OCC(CCN)c2cccs2)c1
InChIInChI=1S/C15H19NOS/c1-12-4-2-5-14(10-12)17-11-13(7-8-16)15-6-3-9-18-15/h2-6,9-10,13H,7-8,11,16H2,1H3
InChIKeyOZKPRVZQPYLBLM-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
CID 112516545
3-(3-methoxyphenoxy)-2-thiophen-2-ylpropan-1-amine
CID 112517172
3-N,3-N-dimethyl-4-(3-methylphenoxy)butane-1,3-diamine
CID 112500984
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020853
2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol
CID 55012484
2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
CID 117240560
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine?
The IUPAC name of 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine (CID 112516897) is 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine is Cc1cccc(OCC(CCN)c2cccs2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine?
The InChIKey is OZKPRVZQPYLBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-4-2-5-14(10-12)17-11-13(7-8-16)15-6-3-9-18-15/h2-6,9-10,13H,7-8,11,16H2,1H3.
What are the key properties of 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine?
4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 112516897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).