3-chloro-2-methylnaphthalene-1,8-diamine

C11H11ClN2 — CID 67715061

IUPAC3-chloro-2-methylnaphthalene-1,8-diamine
SMILESCc1c(Cl)cc2cccc(N)c2c1N
InChIInChI=1S/C11H11ClN2/c1-6-8(12)5-7-3-2-4-9(13)10(7)11(6)14/h2-5H,13-14H2,1H3
InChIKeyXYQCYRDTXJYYTG-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.97
Rot. Bonds

About 3-chloro-2-methylnaphthalene-1,8-diamine

3-chloro-2-methylnaphthalene-1,8-diamine (PubChem CID 67715061) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 3-chloro-2-methylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name3-chloro-2-methylnaphthalene-1,8-diamine
PubChem CID67715061
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name3-chloro-2-methylnaphthalene-1,8-diamine
SMILESCc1c(Cl)cc2cccc(N)c2c1N
InChIInChI=1S/C11H11ClN2/c1-6-8(12)5-7-3-2-4-9(13)10(7)11(6)14/h2-5H,13-14H2,1H3
InChIKeyXYQCYRDTXJYYTG-UHFFFAOYSA-N
XLogP2.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylnaphthalene-1,8-diamine?
The IUPAC name of 3-chloro-2-methylnaphthalene-1,8-diamine (CID 67715061) is 3-chloro-2-methylnaphthalene-1,8-diamine.
What is the SMILES notation for 3-chloro-2-methylnaphthalene-1,8-diamine?
The canonical SMILES for 3-chloro-2-methylnaphthalene-1,8-diamine is Cc1c(Cl)cc2cccc(N)c2c1N.
What is the InChIKey of 3-chloro-2-methylnaphthalene-1,8-diamine?
The InChIKey is XYQCYRDTXJYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-6-8(12)5-7-3-2-4-9(13)10(7)11(6)14/h2-5H,13-14H2,1H3.
What are the key properties of 3-chloro-2-methylnaphthalene-1,8-diamine?
3-chloro-2-methylnaphthalene-1,8-diamine has a molecular weight of 206.68 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylnaphthalene-1,8-diamine is sourced from PubChem (CID 67715061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).