2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C16H24ClNO — CID 114622806

IUPAC2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)Cc2cccc(Cl)c2)C(C)(C)O1
InChIInChI=1S/C16H24ClNO/c1-15(2)10-13(16(3,4)19-15)14(18)9-11-6-5-7-12(17)8-11/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyDXTOZUVVQOUSOD-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.80
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 114622806) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID114622806
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)Cc2cccc(Cl)c2)C(C)(C)O1
InChIInChI=1S/C16H24ClNO/c1-15(2)10-13(16(3,4)19-15)14(18)9-11-6-5-7-12(17)8-11/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyDXTOZUVVQOUSOD-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79928164
1-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-3-chlorobenzene
CID 107003146
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
2-(3-chlorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107179608
2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827634
(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65411591
2-(3-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666362
2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622732
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
CID 82284005
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
N-ethyl-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622837

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 114622806) is 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CC1(C)CC(C(N)Cc2cccc(Cl)c2)C(C)(C)O1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is DXTOZUVVQOUSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2)10-13(16(3,4)19-15)14(18)9-11-6-5-7-12(17)8-11/h5-8,13-14H,9-10,18H2,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114622806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).