3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine

C11H13Cl2NO — CID 65020052

IUPAC3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
SMILESNC1(Cc2ccc(Cl)cc2Cl)CCOC1
InChIInChI=1S/C11H13Cl2NO/c12-9-2-1-8(10(13)5-9)6-11(14)3-4-15-7-11/h1-2,5H,3-4,6-7,14H2
InChIKeyNJHHCXQAYGZODE-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.65
Rot. Bonds2

About 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine

3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine (PubChem CID 65020052) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
PubChem CID65020052
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
SMILESNC1(Cc2ccc(Cl)cc2Cl)CCOC1
InChIInChI=1S/C11H13Cl2NO/c12-9-2-1-8(10(13)5-9)6-11(14)3-4-15-7-11/h1-2,5H,3-4,6-7,14H2
InChIKeyNJHHCXQAYGZODE-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
CID 65317527
3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655
4-[(2-chloro-4-fluorophenyl)methyl]oxan-4-amine
CID 63220505
4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
4-[(2-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 65081829
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
CID 164649438
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
3-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 113248967

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine (CID 65020052) is 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine is NC1(Cc2ccc(Cl)cc2Cl)CCOC1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine?
The InChIKey is NJHHCXQAYGZODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-9-2-1-8(10(13)5-9)6-11(14)3-4-15-7-11/h1-2,5H,3-4,6-7,14H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine?
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine has a molecular weight of 246.14 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 65020052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).