2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine

C15H25NO2 — CID 60905266

IUPAC2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
SMILESCCCOc1ccc(CCN)c(OCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-9-17-14-6-5-13(7-8-16)15(10-14)18-11-12(2)3/h5-6,10,12H,4,7-9,11,16H2,1-3H3
InChIKeyNJFJTWSBIALXLT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.01
Rot. Bonds8

About 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine

2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine (PubChem CID 60905266) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
PubChem CID60905266
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
SMILESCCCOc1ccc(CCN)c(OCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-9-17-14-6-5-13(7-8-16)15(10-14)18-11-12(2)3/h5-6,10,12H,4,7-9,11,16H2,1-3H3
InChIKeyNJFJTWSBIALXLT-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
CID 104807530
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976
2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
CID 60905963
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine (CID 60905266) is 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine is CCCOc1ccc(CCN)c(OCC(C)C)c1.
What is the InChIKey of 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine?
The InChIKey is NJFJTWSBIALXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-9-17-14-6-5-13(7-8-16)15(10-14)18-11-12(2)3/h5-6,10,12H,4,7-9,11,16H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine?
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine is sourced from PubChem (CID 60905266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).