2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine

C16H27NO2 — CID 102981242

IUPAC2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)COC(C)CCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-6-13(3)19-12-16(17)14-7-9-15(10-8-14)18-11-5-2/h7-10,13,16H,4-6,11-12,17H2,1-3H3
InChIKeyCZPXSCWQGUUVGI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.68
Rot. Bonds9

About 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine

2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine (PubChem CID 102981242) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
PubChem CID102981242
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)COC(C)CCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-6-13(3)19-12-16(17)14-7-9-15(10-8-14)18-11-5-2/h7-10,13,16H,4-6,11-12,17H2,1-3H3
InChIKeyCZPXSCWQGUUVGI-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43127437
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 61429545
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine (CID 102981242) is 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)COC(C)CCC)cc1.
What is the InChIKey of 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine?
The InChIKey is CZPXSCWQGUUVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-13(3)19-12-16(17)14-7-9-15(10-8-14)18-11-5-2/h7-10,13,16H,4-6,11-12,17H2,1-3H3.
What are the key properties of 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine?
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 102981242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).