N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine

C24H25Cl2NO2 — CID 24843977

IUPACN-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine
SMILESCC(COc1ccc(Cl)c(Cl)c1)NCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25Cl2NO2/c1-18(17-29-21-12-13-22(25)23(26)16-21)27-14-15-28-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,18,24,27H,14-15,17H2,1H3
InChIKeyHGGDUVXVCHQSES-UHFFFAOYSA-N
MW430.38 g/mol
LogP6.16
Rot. Bonds10

About N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine

N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine (PubChem CID 24843977) has the molecular formula C24H25Cl2NO2 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine
PubChem CID24843977
Molecular FormulaC24H25Cl2NO2
Molecular Weight430.38 g/mol
Exact Mass429.13
IUPAC NameN-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine
SMILESCC(COc1ccc(Cl)c(Cl)c1)NCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25Cl2NO2/c1-18(17-29-21-12-13-22(25)23(26)16-21)27-14-15-28-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,18,24,27H,14-15,17H2,1H3
InChIKeyHGGDUVXVCHQSES-UHFFFAOYSA-N
XLogP6.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine?
The IUPAC name of N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine (CID 24843977) is N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine is CC(COc1ccc(Cl)c(Cl)c1)NCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine?
The InChIKey is HGGDUVXVCHQSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2NO2/c1-18(17-29-21-12-13-22(25)23(26)16-21)27-14-15-28-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,18,24,27H,14-15,17H2,1H3.
What are the key properties of N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine?
N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine has a molecular weight of 430.38 g/mol, XLogP of 6.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine is sourced from PubChem (CID 24843977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).