N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine

C28H36N2O — CID 10835740

IUPACN'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3
InChIKeyFFZXXMKWEGRDRF-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.29
Rot. Bonds13

About N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine

N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine (PubChem CID 10835740) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine
PubChem CID10835740
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC NameN'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3
InChIKeyFFZXXMKWEGRDRF-UHFFFAOYSA-N
XLogP5.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine (CID 10835740) is N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine is CN(CCCN(C)CCc1ccccc1)CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine?
The InChIKey is FFZXXMKWEGRDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O/c1-29(22-19-25-13-6-3-7-14-25)20-12-21-30(2)23-24-31-28(26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,28H,12,19-24H2,1-2H3.
What are the key properties of N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine?
N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine has a molecular weight of 416.61 g/mol, XLogP of 5.29, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzhydryloxyethyl)-N,N'-dimethyl-N-(2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 10835740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).