N'-benzhydryloxy-N'-ethylethane-1,2-diamine

C17H22N2O — CID 21187776

IUPACN'-benzhydryloxy-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-2-19(14-13-18)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14,18H2,1H3
InChIKeyCVJDAKVXHUVLCU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.99
Rot. Bonds7

About N'-benzhydryloxy-N'-ethylethane-1,2-diamine

N'-benzhydryloxy-N'-ethylethane-1,2-diamine (PubChem CID 21187776) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-benzhydryloxy-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzhydryloxy-N'-ethylethane-1,2-diamine
PubChem CID21187776
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN'-benzhydryloxy-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-2-19(14-13-18)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14,18H2,1H3
InChIKeyCVJDAKVXHUVLCU-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzhydryl-(diethylaminooxy)-dihydroxyphosphanium
CID 174479716
N'-[amino(phenyl)methyl]-N'-butylethane-1,2-diamine
CID 146614516
[(dichloroamino)oxy-phenylmethyl]benzene
CID 22288731
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
[2-aminoethyl-[hydroxy(phenyl)methyl]amino]-phenylmethanol
CID 69166478
N'-(1-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 173045613
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
2-benzhydryloxy-N,N,N',N'-tetraethylpropane-1,3-diamine;dihydrochloride
CID 3030850
ethanamine;1-phenylethylbenzene
CID 19985218
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
benzhydryloxyphosphane
CID 22639277
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryloxy-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-benzhydryloxy-N'-ethylethane-1,2-diamine (CID 21187776) is N'-benzhydryloxy-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-benzhydryloxy-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-benzhydryloxy-N'-ethylethane-1,2-diamine is CCN(CCN)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzhydryloxy-N'-ethylethane-1,2-diamine?
The InChIKey is CVJDAKVXHUVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-19(14-13-18)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14,18H2,1H3.
What are the key properties of N'-benzhydryloxy-N'-ethylethane-1,2-diamine?
N'-benzhydryloxy-N'-ethylethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryloxy-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 21187776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).