3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol

C10H12ClNO — CID 57031707

IUPAC3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol
SMILESNC1Cc2ccccc2C(O)(Cl)C1
InChIInChI=1S/C10H12ClNO/c11-10(13)6-8(12)5-7-3-1-2-4-9(7)10/h1-4,8,13H,5-6,12H2
InChIKeyQXOVOSZGTYVIIS-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.34
Rot. Bonds

About 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol

3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 57031707) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID57031707
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol
SMILESNC1Cc2ccccc2C(O)(Cl)C1
InChIInChI=1S/C10H12ClNO/c11-10(13)6-8(12)5-7-3-1-2-4-9(7)10/h1-4,8,13H,5-6,12H2
InChIKeyQXOVOSZGTYVIIS-UHFFFAOYSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol (CID 57031707) is 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol is NC1Cc2ccccc2C(O)(Cl)C1.
What is the InChIKey of 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is QXOVOSZGTYVIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-10(13)6-8(12)5-7-3-1-2-4-9(7)10/h1-4,8,13H,5-6,12H2.
What are the key properties of 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol?
3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 197.67 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 57031707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).