(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C24H26ClN — CID 118729275

IUPAC(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1.Cl
InChIInChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1
InChIKeyHOAKRAGPAPUBMD-NOURSWRJSA-N
MW363.93 g/mol
LogP5.78
Rot. Bonds3

About (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 118729275) has the molecular formula C24H26ClN and a molecular weight of 363.93 g/mol. Its IUPAC name is (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID118729275
Molecular FormulaC24H26ClN
Molecular Weight363.93 g/mol
Exact Mass363.18
IUPAC Name(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1.Cl
InChIInChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1
InChIKeyHOAKRAGPAPUBMD-NOURSWRJSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.93
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 118729275) is (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is CN(C)[C@@H]1Cc2ccccc2[C@@H](c2cccc(-c3ccccc3)c2)C1.Cl.
What is the InChIKey of (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is HOAKRAGPAPUBMD-NOURSWRJSA-N. The full InChI is InChI=1S/C24H25N.ClH/c1-25(2)22-16-21-11-6-7-14-23(21)24(17-22)20-13-8-12-19(15-20)18-9-4-3-5-10-18;/h3-15,22,24H,16-17H2,1-2H3;1H/t22-,24-;/m1./s1.
What are the key properties of (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-dimethyl-4-(3-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 118729275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).