3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol

C14H15NO — CID 117304411

IUPAC3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
SMILESNC1(Cc2cc3ccccc3cc2O)CC1
InChIInChI=1S/C14H15NO/c15-14(5-6-14)9-12-7-10-3-1-2-4-11(10)8-13(12)16/h1-4,7-8,16H,5-6,9,15H2
InChIKeyZVCZZGIYEPJWTK-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds2

About 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol

3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol (PubChem CID 117304411) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
PubChem CID117304411
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
SMILESNC1(Cc2cc3ccccc3cc2O)CC1
InChIInChI=1S/C14H15NO/c15-14(5-6-14)9-12-7-10-3-1-2-4-11(10)8-13(12)16/h1-4,7-8,16H,5-6,9,15H2
InChIKeyZVCZZGIYEPJWTK-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol?
The IUPAC name of 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol (CID 117304411) is 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol?
The canonical SMILES for 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol is NC1(Cc2cc3ccccc3cc2O)CC1.
What is the InChIKey of 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol?
The InChIKey is ZVCZZGIYEPJWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-14(5-6-14)9-12-7-10-3-1-2-4-11(10)8-13(12)16/h1-4,7-8,16H,5-6,9,15H2.
What are the key properties of 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol?
3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol has a molecular weight of 213.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 117304411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).