4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine

C16H21N3O — CID 106566017

IUPAC4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
SMILESCc1cn(CC2CCCOC2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-10-19(11-14-6-5-9-20-12-14)16(17-13)18-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,17,18)
InChIKeyVSSJHRCHFCGOSX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.36
Rot. Bonds4

About 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine

4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine (PubChem CID 106566017) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
PubChem CID106566017
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
SMILESCc1cn(CC2CCCOC2)c(Nc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-10-19(11-14-6-5-9-20-12-14)16(17-13)18-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,17,18)
InChIKeyVSSJHRCHFCGOSX-UHFFFAOYSA-N
XLogP3.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
CID 106560077
1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
CID 106582506
4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine
CID 106572558
1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine
CID 106580091
1-(cyclobutylmethyl)-N,4-dimethylimidazol-2-amine
CID 106561421
3-methyl-1-(oxan-3-ylmethyl)pyrazole
CID 130610539
1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine
CID 106575524
4-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-phenylimidazol-2-amine
CID 106566250
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine
CID 106573246
N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
CID 106562341
2-methyl-3-(oxan-3-ylmethyl)-5-phenylimidazolidin-4-one
CID 83249352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine (CID 106566017) is 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine is Cc1cn(CC2CCCOC2)c(Nc2ccccc2)n1.
What is the InChIKey of 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine?
The InChIKey is VSSJHRCHFCGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-10-19(11-14-6-5-9-20-12-14)16(17-13)18-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,17,18).
What are the key properties of 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine?
4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106566017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).