2-(3,5-dichlorophenyl)oxan-3-amine

C11H13Cl2NO — CID 79365419

IUPAC2-(3,5-dichlorophenyl)oxan-3-amine
SMILESNC1CCCOC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-8-4-7(5-9(13)6-8)11-10(14)2-1-3-15-11/h4-6,10-11H,1-3,14H2
InChIKeyPITKOZSIEXBNLG-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.17
Rot. Bonds1

About 2-(3,5-dichlorophenyl)oxan-3-amine

2-(3,5-dichlorophenyl)oxan-3-amine (PubChem CID 79365419) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)oxan-3-amine
PubChem CID79365419
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-(3,5-dichlorophenyl)oxan-3-amine
SMILESNC1CCCOC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-8-4-7(5-9(13)6-8)11-10(14)2-1-3-15-11/h4-6,10-11H,1-3,14H2
InChIKeyPITKOZSIEXBNLG-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dichlorophenyl)oxan-3-amine 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-(3,5-dimethylphenyl)oxan-3-amine
CID 79364779
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
N-[[2-(3,5-dichlorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365299
2-(3-chlorophenyl)oxolan-3-amine
CID 79364588
2-(3-chloro-4-methoxyphenyl)oxan-3-amine
CID 79365514
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199
(2R,3R)-2-pyridin-4-yloxan-3-amine
CID 124709129
2-(3-bromo-4-fluorophenyl)oxan-3-amine
CID 79364591
2-(4-propan-2-ylphenyl)oxan-3-amine
CID 79365963
2-(4-tert-butylphenyl)oxan-3-amine
CID 79365048
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
2-(4-bromo-3-fluorophenyl)oxan-3-amine
CID 81441150

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)oxan-3-amine?
The IUPAC name of 2-(3,5-dichlorophenyl)oxan-3-amine (CID 79365419) is 2-(3,5-dichlorophenyl)oxan-3-amine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)oxan-3-amine?
The canonical SMILES for 2-(3,5-dichlorophenyl)oxan-3-amine is NC1CCCOC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)oxan-3-amine?
The InChIKey is PITKOZSIEXBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-8-4-7(5-9(13)6-8)11-10(14)2-1-3-15-11/h4-6,10-11H,1-3,14H2.
What are the key properties of 2-(3,5-dichlorophenyl)oxan-3-amine?
2-(3,5-dichlorophenyl)oxan-3-amine has a molecular weight of 246.14 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)oxan-3-amine is sourced from PubChem (CID 79365419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).