[2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C14H17Cl2NO — CID 65394896

IUPAC[2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CC2CCC1O2
InChIInChI=1S/C14H17Cl2NO/c15-11-3-1-9(5-12(11)16)6-14(8-17)7-10-2-4-13(14)18-10/h1,3,5,10,13H,2,4,6-8,17H2
InChIKeyAPHJFHDOBGCNFX-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.43
Rot. Bonds3

About [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 65394896) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID65394896
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name[2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CC2CCC1O2
InChIInChI=1S/C14H17Cl2NO/c15-11-3-1-9(5-12(11)16)6-14(8-17)7-10-2-4-13(14)18-10/h1,3,5,10,13H,2,4,6-8,17H2
InChIKeyAPHJFHDOBGCNFX-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 65394686
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538677
2-[(4-chloro-2-fluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114861670
[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65407873
7-[(3,4-dichlorophenyl)methyl]bicyclo[4.1.0]heptan-7-ol
CID 79331257
1-[(3,4-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 63408298
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 65394896) is [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is NCC1(Cc2ccc(Cl)c(Cl)c2)CC2CCC1O2.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is APHJFHDOBGCNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-11-3-1-9(5-12(11)16)6-14(8-17)7-10-2-4-13(14)18-10/h1,3,5,10,13H,2,4,6-8,17H2.
What are the key properties of [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 286.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 65394896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).