5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol

C16H25NO2 — CID 79856120

IUPAC5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCOc1ccccc1N(C)CC1CCC(C)(C)C1O
InChIInChI=1S/C16H25NO2/c1-16(2)10-9-12(15(16)18)11-17(3)13-7-5-6-8-14(13)19-4/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyDXAKLLRNLNWXIG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds4

About 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol

5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79856120) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID79856120
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCOc1ccccc1N(C)CC1CCC(C)(C)C1O
InChIInChI=1S/C16H25NO2/c1-16(2)10-9-12(15(16)18)11-17(3)13-7-5-6-8-14(13)19-4/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyDXAKLLRNLNWXIG-UHFFFAOYSA-N
XLogP2.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol (CID 79856120) is 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol is COc1ccccc1N(C)CC1CCC(C)(C)C1O.
What is the InChIKey of 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is DXAKLLRNLNWXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)10-9-12(15(16)18)11-17(3)13-7-5-6-8-14(13)19-4/h5-8,12,15,18H,9-11H2,1-4H3.
What are the key properties of 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol?
5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79856120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).