anisole;naphthalen-2-amine

C17H17NO — CID 159214665

IUPACanisole;naphthalen-2-amine
SMILESCOc1ccccc1.Nc1ccc2ccccc2c1
InChIInChI=1S/C10H9N.C7H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-8-7-5-3-2-4-6-7/h1-7H,11H2;2-6H,1H3
InChIKeyKQXLOQFAKYVPEZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.12
Rot. Bonds1

About anisole;naphthalen-2-amine

anisole;naphthalen-2-amine (PubChem CID 159214665) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is anisole;naphthalen-2-amine.

Molecular Properties

Compound Nameanisole;naphthalen-2-amine
PubChem CID159214665
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Nameanisole;naphthalen-2-amine
SMILESCOc1ccccc1.Nc1ccc2ccccc2c1
InChIInChI=1S/C10H9N.C7H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-8-7-5-3-2-4-6-7/h1-7H,11H2;2-6H,1H3
InChIKeyKQXLOQFAKYVPEZ-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze anisole;naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;naphthalen-2-amine
CID 70389802
aniline;naphthalen-2-amine
CID 158733233
anisole;1,1'-biphenyl;naphthalene
CID 161250692
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
naphthalen-2-amine;phenylmethanamine
CID 174814496
2-bromonaphthalene;naphthalen-2-amine
CID 173256216
methylperoxysulfanylethane;naphthalen-2-amine;propane
CID 91032698
acetylene;anisole
CID 86033716
3-methoxyaniline;sulfane
CID 174447811

Frequently Asked Questions

What is the IUPAC name of anisole;naphthalen-2-amine?
The IUPAC name of anisole;naphthalen-2-amine (CID 159214665) is anisole;naphthalen-2-amine.
What is the SMILES notation for anisole;naphthalen-2-amine?
The canonical SMILES for anisole;naphthalen-2-amine is COc1ccccc1.Nc1ccc2ccccc2c1.
What is the InChIKey of anisole;naphthalen-2-amine?
The InChIKey is KQXLOQFAKYVPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C7H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-8-7-5-3-2-4-6-7/h1-7H,11H2;2-6H,1H3.
What are the key properties of anisole;naphthalen-2-amine?
anisole;naphthalen-2-amine has a molecular weight of 251.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;naphthalen-2-amine is sourced from PubChem (CID 159214665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).