3,6-dichloronaphthalen-2-amine

C10H7Cl2N — CID 156754517

IUPAC3,6-dichloronaphthalen-2-amine
SMILESNc1cc2ccc(Cl)cc2cc1Cl
InChIInChI=1S/C10H7Cl2N/c11-8-2-1-6-5-10(13)9(12)4-7(6)3-8/h1-5H,13H2
InChIKeyPDVQSMZIJXKLGW-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.73
Rot. Bonds

About 3,6-dichloronaphthalen-2-amine

3,6-dichloronaphthalen-2-amine (PubChem CID 156754517) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 3,6-dichloronaphthalen-2-amine.

Molecular Properties

Compound Name3,6-dichloronaphthalen-2-amine
PubChem CID156754517
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name3,6-dichloronaphthalen-2-amine
SMILESNc1cc2ccc(Cl)cc2cc1Cl
InChIInChI=1S/C10H7Cl2N/c11-8-2-1-6-5-10(13)9(12)4-7(6)3-8/h1-5H,13H2
InChIKeyPDVQSMZIJXKLGW-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-chloronaphthalen-2-amine
CID 23423659
2,4-dichloroaniline;molecular nitrogen
CID 69010854
6,7-dichloronaphthalen-2-amine
CID 70123851
2-chloronaphthalene;naphthalene
CID 159169098
2-bromo-6-chloroanthracene
CID 22728523
bis(6-bromo-2,3-dimethylnaphthalene);2-bromo-3-fluoro-6,7-dimethylnaphthalene;6-bromo-3-methylnaphthalen-2-amine;7-bromo-3-methylnaphthalen-2-amine;bis(6-chloro-2,3-dimethylnaphthalene);2-chloro-3-fluoro-6,7-dimethylnaphthalene;6-chloro-3-methylnaphthalen-2-amine;7-chloro-3-methylnaphthalen-2-amine;2,3-difluoro-6,7-dimethylnaphthalene;6-fluoro-2,3-dimethylnaphthalene;6-fluoro-3-methylnaphthalen-2-amine;7-fluoro-3-methylnaphthalen-2-amine
CID 159659197
7-chloro-2-methylquinolin-3-amine
CID 72942962
2,3,6-trichlorophenanthrene
CID 123278920
6-chloro-3-iminobenzo[f]isoindol-1-amine
CID 19991336
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
4-chloro-2-naphthalen-2-ylaniline
CID 81275231
2-(6-chloronaphthalen-2-yl)oxyethanamine
CID 84687251

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloronaphthalen-2-amine?
The IUPAC name of 3,6-dichloronaphthalen-2-amine (CID 156754517) is 3,6-dichloronaphthalen-2-amine.
What is the SMILES notation for 3,6-dichloronaphthalen-2-amine?
The canonical SMILES for 3,6-dichloronaphthalen-2-amine is Nc1cc2ccc(Cl)cc2cc1Cl.
What is the InChIKey of 3,6-dichloronaphthalen-2-amine?
The InChIKey is PDVQSMZIJXKLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c11-8-2-1-6-5-10(13)9(12)4-7(6)3-8/h1-5H,13H2.
What are the key properties of 3,6-dichloronaphthalen-2-amine?
3,6-dichloronaphthalen-2-amine has a molecular weight of 212.08 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloronaphthalen-2-amine is sourced from PubChem (CID 156754517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).