4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine

C17H23NOS — CID 60878632

IUPAC4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCc1ccc(COc2ccc(CCC(C)N)cc2)s1
InChIInChI=1S/C17H23NOS/c1-3-16-10-11-17(20-16)12-19-15-8-6-14(7-9-15)5-4-13(2)18/h6-11,13H,3-5,12,18H2,1-2H3
InChIKeyIMCMMKSOJYHCJG-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.17
Rot. Bonds7

About 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine

4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 60878632) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID60878632
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCc1ccc(COc2ccc(CCC(C)N)cc2)s1
InChIInChI=1S/C17H23NOS/c1-3-16-10-11-17(20-16)12-19-15-8-6-14(7-9-15)5-4-13(2)18/h6-11,13H,3-5,12,18H2,1-2H3
InChIKeyIMCMMKSOJYHCJG-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
4-[4-(2-ethylbutoxy)phenyl]butan-2-amine
CID 82926712
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 55190446
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine (CID 60878632) is 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine is CCc1ccc(COc2ccc(CCC(C)N)cc2)s1.
What is the InChIKey of 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is IMCMMKSOJYHCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-16-10-11-17(20-16)12-19-15-8-6-14(7-9-15)5-4-13(2)18/h6-11,13H,3-5,12,18H2,1-2H3.
What are the key properties of 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine?
4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60878632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).