1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride

C18H24ClNO — CID 44531482

IUPAC1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1CNC1CCCCCC1
InChIInChI=1S/C18H23NO.ClH/c20-18-12-11-14-7-5-6-10-16(14)17(18)13-19-15-8-3-1-2-4-9-15;/h5-7,10-12,15,19-20H,1-4,8-9,13H2;1H
InChIKeyBBBCQWFPQCXIJZ-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.78
Rot. Bonds3

About 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride

1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride (PubChem CID 44531482) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride
PubChem CID44531482
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride
SMILESCl.Oc1ccc2ccccc2c1CNC1CCCCCC1
InChIInChI=1S/C18H23NO.ClH/c20-18-12-11-14-7-5-6-10-16(14)17(18)13-19-15-8-3-1-2-4-9-15;/h5-7,10-12,15,19-20H,1-4,8-9,13H2;1H
InChIKeyBBBCQWFPQCXIJZ-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride (CID 44531482) is 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride is Cl.Oc1ccc2ccccc2c1CNC1CCCCCC1.
What is the InChIKey of 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride?
The InChIKey is BBBCQWFPQCXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c20-18-12-11-14-7-5-6-10-16(14)17(18)13-19-15-8-3-1-2-4-9-15;/h5-7,10-12,15,19-20H,1-4,8-9,13H2;1H.
What are the key properties of 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride?
1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cycloheptylamino)methyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 44531482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).