N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine

C₂₀H₂₃Cl₂NO₂ — CID 4719319

About N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine

N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine (PubChem CID 4719319) has the molecular formula C₂₀H₂₃Cl₂NO₂ and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine.

Molecular Properties

• Compound Name: N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
• PubChem CID: 4719319
• Molecular Formula: C₂₀H₂₃Cl₂NO₂
• Molecular Weight: 380.32 g/mol
• Exact Mass: 379.11
• IUPAC Name: N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
• SMILES: COc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C20H23Cl2NO2/c1-24-20-11-14(12-23-16-4-2-3-5-16)7-9-19(20)25-13-15-6-8-17(21)18(22)10-15/h6-11,16,23H,2-5,12-13H2,1H3
• InChIKey: LBXDQVXZGGFHGI-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.32
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?

The IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine (CID 4719319) is N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine.

What is the SMILES notation for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?

The canonical SMILES for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine is COc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1.

What is the InChIKey of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?

The InChIKey is LBXDQVXZGGFHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-24-20-11-14(12-23-16-4-2-3-5-16)7-9-19(20)25-13-15-6-8-17(21)18(22)10-15/h6-11,16,23H,2-5,12-13H2,1H3.

What are the key properties of N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine?

N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine has a molecular weight of 380.32 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine is sourced from PubChem (CID 4719319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4719319 — identifiers, structure, computed properties (public domain)

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