(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride

C19H23ClN2O — CID 138400479

IUPAC(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@](C(N)=O)(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-21(2)17-12-13-19(18(20)22,14-8-4-3-5-9-14)16-11-7-6-10-15(16)17;/h3-11,17H,12-13H2,1-2H3,(H2,20,22);1H/t17-,19-;/m1./s1
InChIKeyUQZKHTHEHKIDHJ-POCMBTLOSA-N
MW330.86 g/mol
LogP3.28
Rot. Bonds3

About (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride

(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride (PubChem CID 138400479) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
PubChem CID138400479
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@](C(N)=O)(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-21(2)17-12-13-19(18(20)22,14-8-4-3-5-9-14)16-11-7-6-10-15(16)17;/h3-11,17H,12-13H2,1-2H3,(H2,20,22);1H/t17-,19-;/m1./s1
InChIKeyUQZKHTHEHKIDHJ-POCMBTLOSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
The IUPAC name of (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride (CID 138400479) is (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride is CN(C)[C@@H]1CC[C@@](C(N)=O)(c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
The InChIKey is UQZKHTHEHKIDHJ-POCMBTLOSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-21(2)17-12-13-19(18(20)22,14-8-4-3-5-9-14)16-11-7-6-10-15(16)17;/h3-11,17H,12-13H2,1-2H3,(H2,20,22);1H/t17-,19-;/m1./s1.
What are the key properties of (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride?
(1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 138400479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).