4-chloro-2-ethylnaphthalen-1-amine

C12H12ClN — CID 166071062

IUPAC4-chloro-2-ethylnaphthalen-1-amine
SMILESCCc1cc(Cl)c2ccccc2c1N
InChIInChI=1S/C12H12ClN/c1-2-8-7-11(13)9-5-3-4-6-10(9)12(8)14/h3-7H,2,14H2,1H3
InChIKeyCZZDTJOAPJNJIE-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.64
Rot. Bonds1

About 4-chloro-2-ethylnaphthalen-1-amine

4-chloro-2-ethylnaphthalen-1-amine (PubChem CID 166071062) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 4-chloro-2-ethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-chloro-2-ethylnaphthalen-1-amine
PubChem CID166071062
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name4-chloro-2-ethylnaphthalen-1-amine
SMILESCCc1cc(Cl)c2ccccc2c1N
InChIInChI=1S/C12H12ClN/c1-2-8-7-11(13)9-5-3-4-6-10(9)12(8)14/h3-7H,2,14H2,1H3
InChIKeyCZZDTJOAPJNJIE-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylnaphthalen-1-amine?
The IUPAC name of 4-chloro-2-ethylnaphthalen-1-amine (CID 166071062) is 4-chloro-2-ethylnaphthalen-1-amine.
What is the SMILES notation for 4-chloro-2-ethylnaphthalen-1-amine?
The canonical SMILES for 4-chloro-2-ethylnaphthalen-1-amine is CCc1cc(Cl)c2ccccc2c1N.
What is the InChIKey of 4-chloro-2-ethylnaphthalen-1-amine?
The InChIKey is CZZDTJOAPJNJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-2-8-7-11(13)9-5-3-4-6-10(9)12(8)14/h3-7H,2,14H2,1H3.
What are the key properties of 4-chloro-2-ethylnaphthalen-1-amine?
4-chloro-2-ethylnaphthalen-1-amine has a molecular weight of 205.69 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylnaphthalen-1-amine is sourced from PubChem (CID 166071062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).