4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine

C15H24N2O2 — CID 83002804

IUPAC4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(N(C)CC2CCCO2)ccc1N
InChIInChI=1S/C15H24N2O2/c1-11(2)19-15-9-12(6-7-14(15)16)17(3)10-13-5-4-8-18-13/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyINTDBXYQKGOXJQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.67
Rot. Bonds5

About 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002804) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002804
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(N(C)CC2CCCO2)ccc1N
InChIInChI=1S/C15H24N2O2/c1-11(2)19-15-9-12(6-7-14(15)16)17(3)10-13-5-4-8-18-13/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyINTDBXYQKGOXJQ-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
1-[2-amino-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanone
CID 104528515
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004693
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 61433721
2-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 113295571
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83002804) is 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine is CC(C)Oc1cc(N(C)CC2CCCO2)ccc1N.
What is the InChIKey of 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is INTDBXYQKGOXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)19-15-9-12(6-7-14(15)16)17(3)10-13-5-4-8-18-13/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).