N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride

C20H22ClNO — CID 2838218

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride
SMILESCOc1ccc2ccccc2c1CNCCc1ccccc1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-22-20-12-11-17-9-5-6-10-18(17)19(20)15-21-14-13-16-7-3-2-4-8-16;/h2-12,21H,13-15H2,1H3;1H
InChIKeyVFUDWBIJYZEYNE-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.60
Rot. Bonds6

About N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride

N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride (PubChem CID 2838218) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride
PubChem CID2838218
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride
SMILESCOc1ccc2ccccc2c1CNCCc1ccccc1.Cl
InChIInChI=1S/C20H21NO.ClH/c1-22-20-12-11-17-9-5-6-10-18(17)19(20)15-21-14-13-16-7-3-2-4-8-16;/h2-12,21H,13-15H2,1H3;1H
InChIKeyVFUDWBIJYZEYNE-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride (CID 2838218) is N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride is COc1ccc2ccccc2c1CNCCc1ccccc1.Cl.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride?
The InChIKey is VFUDWBIJYZEYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c1-22-20-12-11-17-9-5-6-10-18(17)19(20)15-21-14-13-16-7-3-2-4-8-16;/h2-12,21H,13-15H2,1H3;1H.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride?
N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 2838218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).