3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine

C15H22N4O — CID 80736074

IUPAC3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)Oc1cc(N)cc(N(C)Cc2nccn2C)c1
InChIInChI=1S/C15H22N4O/c1-11(2)20-14-8-12(16)7-13(9-14)19(4)10-15-17-5-6-18(15)3/h5-9,11H,10,16H2,1-4H3
InChIKeyIOKXVEMFSCVGDP-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.43
Rot. Bonds5

About 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine

3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80736074) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80736074
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)Oc1cc(N)cc(N(C)Cc2nccn2C)c1
InChIInChI=1S/C15H22N4O/c1-11(2)20-14-8-12(16)7-13(9-14)19(4)10-15-17-5-6-18(15)3/h5-9,11H,10,16H2,1-4H3
InChIKeyIOKXVEMFSCVGDP-UHFFFAOYSA-N
XLogP2.43
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80731070
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol
CID 80735488
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656
5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80739510
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine (CID 80736074) is 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine is CC(C)Oc1cc(N)cc(N(C)Cc2nccn2C)c1.
What is the InChIKey of 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is IOKXVEMFSCVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)20-14-8-12(16)7-13(9-14)19(4)10-15-17-5-6-18(15)3/h5-9,11H,10,16H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine?
3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80736074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).