2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C15H21NO — CID 65421171

IUPAC2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(C)c(CC2(N)CC3CCC2O3)c1
InChIInChI=1S/C15H21NO/c1-10-3-4-11(2)12(7-10)8-15(16)9-13-5-6-14(15)17-13/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyDCCQZFLXATYWOB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.49
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65421171) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65421171
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(C)c(CC2(N)CC3CCC2O3)c1
InChIInChI=1S/C15H21NO/c1-10-3-4-11(2)12(7-10)8-15(16)9-13-5-6-14(15)17-13/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3
InChIKeyDCCQZFLXATYWOB-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
CID 54958154
2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65422034
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420740
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydrochromen-4-amine
CID 65403944
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65422682
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723
3-[(2,5-dimethylphenyl)methyl]-2,4-dihydrochromen-3-amine
CID 65419425
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65421171) is 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Cc1ccc(C)c(CC2(N)CC3CCC2O3)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is DCCQZFLXATYWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-3-4-11(2)12(7-10)8-15(16)9-13-5-6-14(15)17-13/h3-4,7,13-14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65421171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).