[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride

C26H24ClNO — CID 19742095

IUPAC[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride
SMILESCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc4ccccc4c3)cc2)cc1.Cl
InChIInChI=1S/C26H23NO.ClH/c1-27(2)18-19-7-9-21(10-8-19)22-11-14-23(15-12-22)26(28)25-16-13-20-5-3-4-6-24(20)17-25;/h3-17H,18H2,1-2H3;1H
InChIKeyFJRNQMSBKJMNGJ-UHFFFAOYSA-N
MW401.94 g/mol
LogP6.22
Rot. Bonds5

About [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride

[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride (PubChem CID 19742095) has the molecular formula C26H24ClNO and a molecular weight of 401.94 g/mol. Its IUPAC name is [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride
PubChem CID19742095
Molecular FormulaC26H24ClNO
Molecular Weight401.94 g/mol
Exact Mass401.15
IUPAC Name[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride
SMILESCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc4ccccc4c3)cc2)cc1.Cl
InChIInChI=1S/C26H23NO.ClH/c1-27(2)18-19-7-9-21(10-8-19)22-11-14-23(15-12-22)26(28)25-16-13-20-5-3-4-6-24(20)17-25;/h3-17H,18H2,1-2H3;1H
InChIKeyFJRNQMSBKJMNGJ-UHFFFAOYSA-N
XLogP6.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride?
The IUPAC name of [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride (CID 19742095) is [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride is CN(C)Cc1ccc(-c2ccc(C(=O)c3ccc4ccccc4c3)cc2)cc1.Cl.
What is the InChIKey of [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride?
The InChIKey is FJRNQMSBKJMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO.ClH/c1-27(2)18-19-7-9-21(10-8-19)22-11-14-23(15-12-22)26(28)25-16-13-20-5-3-4-6-24(20)17-25;/h3-17H,18H2,1-2H3;1H.
What are the key properties of [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride?
[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(dimethylamino)methyl]phenyl]phenyl]-naphthalen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 19742095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).