N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine

C18H24N2O2 — CID 154392461

IUPACN'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-19-13-14-20(2)15-18(21-16-9-5-3-6-10-16)22-17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3
InChIKeyXITPDBKFPAWWLL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.62
Rot. Bonds9

About N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine

N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 154392461) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID154392461
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-19-13-14-20(2)15-18(21-16-9-5-3-6-10-16)22-17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3
InChIKeyXITPDBKFPAWWLL-UHFFFAOYSA-N
XLogP2.62
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-dimethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 66224074
but-2-enedioic acid;N,N-dimethyl-2,2-diphenoxyethanamine
CID 3084253
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
CID 21410
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
3-[methyl-[2-(methylamino)ethyl]amino]-1,1-diphenylpropan-1-ol;dihydrochloride
CID 70578560
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
N,N'-dimethyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86271990
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-(9H-fluoren-9-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 144891877

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine (CID 154392461) is N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)CC(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is XITPDBKFPAWWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-13-14-20(2)15-18(21-16-9-5-3-6-10-16)22-17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3.
What are the key properties of N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine?
N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 300.40 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenoxyethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 154392461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).