N,N,1-trimethylnaphthalen-2-amine;hydrochloride

C13H16ClN — CID 174570104

IUPACN,N,1-trimethylnaphthalen-2-amine;hydrochloride
SMILESCc1c(N(C)C)ccc2ccccc12.Cl
InChIInChI=1S/C13H15N.ClH/c1-10-12-7-5-4-6-11(12)8-9-13(10)14(2)3;/h4-9H,1-3H3;1H
InChIKeyHJLZXKNDIABEBO-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.64
Rot. Bonds1

About N,N,1-trimethylnaphthalen-2-amine;hydrochloride

N,N,1-trimethylnaphthalen-2-amine;hydrochloride (PubChem CID 174570104) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is N,N,1-trimethylnaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N,1-trimethylnaphthalen-2-amine;hydrochloride
PubChem CID174570104
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC NameN,N,1-trimethylnaphthalen-2-amine;hydrochloride
SMILESCc1c(N(C)C)ccc2ccccc12.Cl
InChIInChI=1S/C13H15N.ClH/c1-10-12-7-5-4-6-11(12)8-9-13(10)14(2)3;/h4-9H,1-3H3;1H
InChIKeyHJLZXKNDIABEBO-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,1-trimethylnaphthalen-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethylnaphthalen-2-amine;hydrochloride?
The IUPAC name of N,N,1-trimethylnaphthalen-2-amine;hydrochloride (CID 174570104) is N,N,1-trimethylnaphthalen-2-amine;hydrochloride.
What is the SMILES notation for N,N,1-trimethylnaphthalen-2-amine;hydrochloride?
The canonical SMILES for N,N,1-trimethylnaphthalen-2-amine;hydrochloride is Cc1c(N(C)C)ccc2ccccc12.Cl.
What is the InChIKey of N,N,1-trimethylnaphthalen-2-amine;hydrochloride?
The InChIKey is HJLZXKNDIABEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.ClH/c1-10-12-7-5-4-6-11(12)8-9-13(10)14(2)3;/h4-9H,1-3H3;1H.
What are the key properties of N,N,1-trimethylnaphthalen-2-amine;hydrochloride?
N,N,1-trimethylnaphthalen-2-amine;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethylnaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 174570104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).