(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride

C₁₂H₂₀Cl₂N₂O — CID 171212662

About (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride

(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride (PubChem CID 171212662) has the molecular formula C₁₂H₂₀Cl₂N₂O and a molecular weight of 279.21 g/mol. Its IUPAC name is (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
• PubChem CID: 171212662
• Molecular Formula: C₁₂H₂₀Cl₂N₂O
• Molecular Weight: 279.21 g/mol
• Exact Mass: 278.10
• IUPAC Name: (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
• SMILES: CN(C)c1ccc([C@H](N)CCCO)c(Cl)c1.Cl
• InChI: InChI=1S/C12H19ClN2O.ClH/c1-15(2)9-5-6-10(11(13)8-9)12(14)4-3-7-16;/h5-6,8,12,16H,3-4,7,14H2,1-2H3;1H/t12-;/m1./s1
• InChIKey: JANJIGAKEHBONZ-UTONKHPSSA-N
• XLogP: 2.60
• TPSA: 49.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.21
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?

The IUPAC name of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride (CID 171212662) is (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride.

What is the SMILES notation for (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?

The canonical SMILES for (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride is CN(C)c1ccc([C@H](N)CCCO)c(Cl)c1.Cl.

What is the InChIKey of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?

The InChIKey is JANJIGAKEHBONZ-UTONKHPSSA-N. The full InChI is InChI=1S/C12H19ClN2O.ClH/c1-15(2)9-5-6-10(11(13)8-9)12(14)4-3-7-16;/h5-6,8,12,16H,3-4,7,14H2,1-2H3;1H/t12-;/m1./s1.

What are the key properties of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?

(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride has a molecular weight of 279.21 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride is sourced from PubChem (CID 171212662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171212662 — identifiers, structure, computed properties (public domain)

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