3-[(2,5-dichlorophenyl)methyl]oxan-3-amine

C12H15Cl2NO — CID 65317527

IUPAC3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
SMILESNC1(Cc2cc(Cl)ccc2Cl)CCCOC1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-3-11(14)9(6-10)7-12(15)4-1-5-16-8-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyIXESXIGANCZHJB-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.04
Rot. Bonds2

About 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine

3-[(2,5-dichlorophenyl)methyl]oxan-3-amine (PubChem CID 65317527) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
PubChem CID65317527
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-[(2,5-dichlorophenyl)methyl]oxan-3-amine
SMILESNC1(Cc2cc(Cl)ccc2Cl)CCCOC1
InChIInChI=1S/C12H15Cl2NO/c13-10-2-3-11(14)9(6-10)7-12(15)4-1-5-16-8-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyIXESXIGANCZHJB-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
CID 65317862
3-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 113248967
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65317057
4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
[3-[(2,5-dichlorophenyl)methyl]oxolan-3-yl]methanol
CID 66060289
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655
4-[(2-chloro-5-fluorophenyl)methyl]oxan-4-amine
CID 102617544
4-[(3-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 103039274
3-[(2,5-dichlorophenyl)methyl]-1,1-dioxothiolan-3-amine
CID 115338085
4-[(2-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 65081829

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine?
The IUPAC name of 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine (CID 65317527) is 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine is NC1(Cc2cc(Cl)ccc2Cl)CCCOC1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine?
The InChIKey is IXESXIGANCZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-2-3-11(14)9(6-10)7-12(15)4-1-5-16-8-12/h2-3,6H,1,4-5,7-8,15H2.
What are the key properties of 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine?
3-[(2,5-dichlorophenyl)methyl]oxan-3-amine has a molecular weight of 260.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methyl]oxan-3-amine is sourced from PubChem (CID 65317527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).