2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline

C18H27N3O — CID 84586744

IUPAC2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline
SMILESCc1c(COC(C)C)cccc1NCc1nccn1C(C)C
InChIInChI=1S/C18H27N3O/c1-13(2)21-10-9-19-18(21)11-20-17-8-6-7-16(15(17)5)12-22-14(3)4/h6-10,13-14,20H,11-12H2,1-5H3
InChIKeyNCERBYXFUNRYOW-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.31
Rot. Bonds7

About 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline

2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline (PubChem CID 84586744) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline
PubChem CID84586744
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline
SMILESCc1c(COC(C)C)cccc1NCc1nccn1C(C)C
InChIInChI=1S/C18H27N3O/c1-13(2)21-10-9-19-18(21)11-20-17-8-6-7-16(15(17)5)12-22-14(3)4/h6-10,13-14,20H,11-12H2,1-5H3
InChIKeyNCERBYXFUNRYOW-UHFFFAOYSA-N
XLogP4.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylaniline
CID 43112046
4-chloro-2,5-dimethoxy-N-[(1-propan-2-ylimidazol-2-yl)methyl]aniline
CID 84586952
8-bromo-N-[(1-propan-2-ylimidazol-2-yl)methyl]imidazo[1,2-a]pyridin-3-amine
CID 126842202
2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62351719
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 75482281
N-[[2-(propan-2-yloxymethyl)phenyl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 75422956
1-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632749
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481
N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline?
The IUPAC name of 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline (CID 84586744) is 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline.
What is the SMILES notation for 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline?
The canonical SMILES for 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline is Cc1c(COC(C)C)cccc1NCc1nccn1C(C)C.
What is the InChIKey of 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline?
The InChIKey is NCERBYXFUNRYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13(2)21-10-9-19-18(21)11-20-17-8-6-7-16(15(17)5)12-22-14(3)4/h6-10,13-14,20H,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline?
2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline has a molecular weight of 301.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(propan-2-yloxymethyl)aniline is sourced from PubChem (CID 84586744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).