2-benzylnaphthalen-1-amine;hydrochloride

C17H16ClN — CID 45261779

IUPAC2-benzylnaphthalen-1-amine;hydrochloride
SMILESCl.Nc1c(Cc2ccccc2)ccc2ccccc12
InChIInChI=1S/C17H15N.ClH/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17;/h1-11H,12,18H2;1H
InChIKeyDWPIANAKYAFYCF-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.43
Rot. Bonds2

About 2-benzylnaphthalen-1-amine;hydrochloride

2-benzylnaphthalen-1-amine;hydrochloride (PubChem CID 45261779) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-benzylnaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name2-benzylnaphthalen-1-amine;hydrochloride
PubChem CID45261779
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name2-benzylnaphthalen-1-amine;hydrochloride
SMILESCl.Nc1c(Cc2ccccc2)ccc2ccccc12
InChIInChI=1S/C17H15N.ClH/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17;/h1-11H,12,18H2;1H
InChIKeyDWPIANAKYAFYCF-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 54.43
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 2-benzylnaphthalen-1-amine;hydrochloride?
The IUPAC name of 2-benzylnaphthalen-1-amine;hydrochloride (CID 45261779) is 2-benzylnaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 2-benzylnaphthalen-1-amine;hydrochloride?
The canonical SMILES for 2-benzylnaphthalen-1-amine;hydrochloride is Cl.Nc1c(Cc2ccccc2)ccc2ccccc12.
What is the InChIKey of 2-benzylnaphthalen-1-amine;hydrochloride?
The InChIKey is DWPIANAKYAFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.ClH/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17;/h1-11H,12,18H2;1H.
What are the key properties of 2-benzylnaphthalen-1-amine;hydrochloride?
2-benzylnaphthalen-1-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylnaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 45261779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).