2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C16H24ClNO2 — CID 105189139

IUPAC2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)COc2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C16H24ClNO2/c1-15(2)9-13(16(3,4)20-15)14(18)10-19-12-7-5-11(17)6-8-12/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyVGTZKONPEWQUDD-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 105189139) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID105189139
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)COc2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C16H24ClNO2/c1-15(2)9-13(16(3,4)20-15)14(18)10-19-12-7-5-11(17)6-8-12/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyVGTZKONPEWQUDD-UHFFFAOYSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)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-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623206
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
2-(4-chlorophenoxy)-1-(2-ethylcyclohexyl)ethanamine
CID 105151113
2-(4-chlorophenoxy)-1-(1-ethylpiperidin-4-yl)ethanamine
CID 117238932
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623195
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622577
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799
1-(4-chlorophenoxy)-3-propoxypropan-2-amine
CID 105165280

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 105189139) is 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CC1(C)CC(C(N)COc2ccc(Cl)cc2)C(C)(C)O1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is VGTZKONPEWQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-15(2)9-13(16(3,4)20-15)14(18)10-19-12-7-5-11(17)6-8-12/h5-8,13-14H,9-10,18H2,1-4H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 297.83 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105189139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).