(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride

C34H40Cl2N2 — CID 175666140

About (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride

(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride (PubChem CID 175666140) has the molecular formula C34H40Cl2N2 and a molecular weight of 547.61 g/mol. Its IUPAC name is (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride.

Molecular Properties

• Compound Name: (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
• PubChem CID: 175666140
• Molecular Formula: C34H40Cl2N2
• Molecular Weight: 547.61 g/mol
• Exact Mass: 546.26
• IUPAC Name: (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
• SMILES: CN[C@@H]1CC[C@H](c2ccccc2)c2ccccc21.CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl.Cl
• InChI: InChI=1S/2C17H19N.2ClH/c2*1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;;/h2*2-10,14,17-18H,11-12H2,1H3;2*1H/t2*14-,17-;;/m10../s1
• InChIKey: AKUOBTGNLREXBV-ITAHSTJHSA-N
• XLogP: 8.59
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.61
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?

The IUPAC name of (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride (CID 175666140) is (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride.

What is the SMILES notation for (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?

The canonical SMILES for (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride is CN[C@@H]1CC[C@H](c2ccccc2)c2ccccc21.CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl.Cl.

What is the InChIKey of (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?

The InChIKey is AKUOBTGNLREXBV-ITAHSTJHSA-N. The full InChI is InChI=1S/2C17H19N.2ClH/c2*1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;;/h2*2-10,14,17-18H,11-12H2,1H3;2*1H/t2*14-,17-;;/m10../s1.

What are the key properties of (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride?

(1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride has a molecular weight of 547.61 g/mol, XLogP of 8.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride is sourced from PubChem (CID 175666140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).