1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride

C19H19ClFNO — CID 2964098

IUPAC1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1c(OCc2ccccc2F)ccc2ccccc12.Cl
InChIInChI=1S/C19H18FNO.ClH/c1-21-12-17-16-8-4-2-6-14(16)10-11-19(17)22-13-15-7-3-5-9-18(15)20;/h2-11,21H,12-13H2,1H3;1H
InChIKeyXIBAAERDFNNKPJ-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.70
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride

1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride (PubChem CID 2964098) has the molecular formula C19H19ClFNO and a molecular weight of 331.82 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride
PubChem CID2964098
Molecular FormulaC19H19ClFNO
Molecular Weight331.82 g/mol
Exact Mass331.11
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1c(OCc2ccccc2F)ccc2ccccc12.Cl
InChIInChI=1S/C19H18FNO.ClH/c1-21-12-17-16-8-4-2-6-14(16)10-11-19(17)22-13-15-7-3-5-9-18(15)20;/h2-11,21H,12-13H2,1H3;1H
InChIKeyXIBAAERDFNNKPJ-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride (CID 2964098) is 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride is CNCc1c(OCc2ccccc2F)ccc2ccccc12.Cl.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is XIBAAERDFNNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO.ClH/c1-21-12-17-16-8-4-2-6-14(16)10-11-19(17)22-13-15-7-3-5-9-18(15)20;/h2-11,21H,12-13H2,1H3;1H.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride?
1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 331.82 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 2964098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).