1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol

C18H23NO2 — CID 62520425

IUPAC1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol
SMILESOCC1(NCc2c(O)ccc3ccccc23)CCCCC1
InChIInChI=1S/C18H23NO2/c20-13-18(10-4-1-5-11-18)19-12-16-15-7-3-2-6-14(15)8-9-17(16)21/h2-3,6-9,19-21H,1,4-5,10-13H2
InChIKeyKEHKBUKZKBIBCT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds4

About 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol

1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol (PubChem CID 62520425) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol
PubChem CID62520425
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol
SMILESOCC1(NCc2c(O)ccc3ccccc23)CCCCC1
InChIInChI=1S/C18H23NO2/c20-13-18(10-4-1-5-11-18)19-12-16-15-7-3-2-6-14(15)8-9-17(16)21/h2-3,6-9,19-21H,1,4-5,10-13H2
InChIKeyKEHKBUKZKBIBCT-UHFFFAOYSA-N
XLogP3.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol (CID 62520425) is 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol is OCC1(NCc2c(O)ccc3ccccc23)CCCCC1.
What is the InChIKey of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol?
The InChIKey is KEHKBUKZKBIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-13-18(10-4-1-5-11-18)19-12-16-15-7-3-2-6-14(15)8-9-17(16)21/h2-3,6-9,19-21H,1,4-5,10-13H2.
What are the key properties of 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol?
1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 62520425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).