N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine

C₁₉H₂₃Cl₂NO — CID 17210867

About N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine (PubChem CID 17210867) has the molecular formula C₁₉H₂₃Cl₂NO and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine.

Molecular Properties

• Compound Name: N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
• PubChem CID: 17210867
• Molecular Formula: C₁₉H₂₃Cl₂NO
• Molecular Weight: 352.31 g/mol
• Exact Mass: 351.12
• IUPAC Name: N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
• SMILES: CCC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1
• InChI: InChI=1S/C19H23Cl2NO/c1-4-19(2,3)22-12-15-11-17(21)9-10-18(15)23-13-14-5-7-16(20)8-6-14/h5-11,22H,4,12-13H2,1-3H3
• InChIKey: AOJVZRPUXWAHGR-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.31
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?

The IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine (CID 17210867) is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine.

What is the SMILES notation for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?

The canonical SMILES for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1.

What is the InChIKey of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?

The InChIKey is AOJVZRPUXWAHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-4-19(2,3)22-12-15-11-17(21)9-10-18(15)23-13-14-5-7-16(20)8-6-14/h5-11,22H,4,12-13H2,1-3H3.

What are the key properties of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine has a molecular weight of 352.31 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 17210867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17210867 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.