5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine

C16H21NOS — CID 118530471

IUPAC5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine
SMILESCc1ccc(OC(CCCCN)c2cccs2)cc1
InChIInChI=1S/C16H21NOS/c1-13-7-9-14(10-8-13)18-15(5-2-3-11-17)16-6-4-12-19-16/h4,6-10,12,15H,2-3,5,11,17H2,1H3
InChIKeyXRNDDFASMPHZHA-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.31
Rot. Bonds7

About 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine

5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine (PubChem CID 118530471) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine
PubChem CID118530471
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine
SMILESCc1ccc(OC(CCCCN)c2cccs2)cc1
InChIInChI=1S/C16H21NOS/c1-13-7-9-14(10-8-13)18-15(5-2-3-11-17)16-6-4-12-19-16/h4,6-10,12,15H,2-3,5,11,17H2,1H3
InChIKeyXRNDDFASMPHZHA-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
5-(4-fluorophenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 118530461
N-benzyl-N-methyl-3-(4-methylphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 42867719
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane
CID 11464479
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 55022021
5-(4-ethylphenoxy)-5-phenylpentan-1-amine
CID 118528023
5-(1,3-thiazol-2-yl)-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 118519705
2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
CID 90229934
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine?
The IUPAC name of 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine (CID 118530471) is 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine is Cc1ccc(OC(CCCCN)c2cccs2)cc1.
What is the InChIKey of 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine?
The InChIKey is XRNDDFASMPHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-13-7-9-14(10-8-13)18-15(5-2-3-11-17)16-6-4-12-19-16/h4,6-10,12,15H,2-3,5,11,17H2,1H3.
What are the key properties of 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine?
5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 118530471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).