2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride

C24H38Cl2N2O — CID 3030850

IUPAC2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride
SMILESCCN(CC)CC(CN(CC)CC)OC(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C24H36N2O.2ClH/c1-5-25(6-2)19-23(20-26(7-3)8-4)27-24(21-15-11-9-12-16-21)22-17-13-10-14-18-22;;/h9-18,23-24H,5-8,19-20H2,1-4H3;2*1H
InChIKeyUQHXIYRUNABLPM-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.69
Rot. Bonds12

About 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride

2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride (PubChem CID 3030850) has the molecular formula C24H38Cl2N2O and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride
PubChem CID3030850
Molecular FormulaC24H38Cl2N2O
Molecular Weight441.49 g/mol
Exact Mass440.24
IUPAC Name2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride
SMILESCCN(CC)CC(CN(CC)CC)OC(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C24H36N2O.2ClH/c1-5-25(6-2)19-23(20-26(7-3)8-4)27-24(21-15-11-9-12-16-21)22-17-13-10-14-18-22;;/h9-18,23-24H,5-8,19-20H2,1-4H3;2*1H
InChIKeyUQHXIYRUNABLPM-UHFFFAOYSA-N
XLogP5.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2327359
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2-benzhydryloxyheptan-1-ol
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[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methanidylazanium
CID 87106757
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
N,N-diethyl-2-(4-methylphenoxy)-2-phenylethanamine
CID 117067240
[(1R,2S)-3-(diethylamino)-2-methyl-1-phenylpropyl]-methylazanide
CID 87106758
[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride
CID 23615535
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
2-(diethylamino)-1-phenylethanol;benzoate;hydrochloride
CID 20976039

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride (CID 3030850) is 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride is CCN(CC)CC(CN(CC)CC)OC(c1ccccc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is UQHXIYRUNABLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O.2ClH/c1-5-25(6-2)19-23(20-26(7-3)8-4)27-24(21-15-11-9-12-16-21)22-17-13-10-14-18-22;;/h9-18,23-24H,5-8,19-20H2,1-4H3;2*1H.
What are the key properties of 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride?
2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 441.49 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 3030850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).