N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H19N3O2 — CID 62587636

IUPACN'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1nc2ccccc2o1
InChIInChI=1S/C13H19N3O2/c1-16(9-7-14-8-10-17-2)13-15-11-5-3-4-6-12(11)18-13/h3-6,14H,7-10H2,1-2H3
InChIKeyNONIQZBGNARCFK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.50
Rot. Bonds7

About N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 62587636) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID62587636
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1nc2ccccc2o1
InChIInChI=1S/C13H19N3O2/c1-16(9-7-14-8-10-17-2)13-15-11-5-3-4-6-12(11)18-13/h3-6,14H,7-10H2,1-2H3
InChIKeyNONIQZBGNARCFK-UHFFFAOYSA-N
XLogP1.50
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
N-(2-methoxyethyl)-N'-methyl-N'-(quinoxalin-2-ylmethyl)ethane-1,2-diamine
CID 107355866
N-(2-methoxyethyl)-N'-methyl-N'-[6-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62588171
methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-iodopropanoate
CID 23362209
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine
CID 121020808
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine
CID 128979219
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 62587636) is N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)c1nc2ccccc2o1.
What is the InChIKey of N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is NONIQZBGNARCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(9-7-14-8-10-17-2)13-15-11-5-3-4-6-12(11)18-13/h3-6,14H,7-10H2,1-2H3.
What are the key properties of N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 249.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62587636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).