N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine

C19H27N3O2 — CID 99941471

IUPACN-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
SMILESCN(Cc1ccccc1OCCn1ccnc1)C[C@@H]1CCCCO1
InChIInChI=1S/C19H27N3O2/c1-21(15-18-7-4-5-12-23-18)14-17-6-2-3-8-19(17)24-13-11-22-10-9-20-16-22/h2-3,6,8-10,16,18H,4-5,7,11-15H2,1H3/t18-/m0/s1
InChIKeyVLUNLCHZMAABDM-SFHVURJKSA-N
MW329.44 g/mol
LogP2.96
Rot. Bonds8

About N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine

N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine (PubChem CID 99941471) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
PubChem CID99941471
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
SMILESCN(Cc1ccccc1OCCn1ccnc1)C[C@@H]1CCCCO1
InChIInChI=1S/C19H27N3O2/c1-21(15-18-7-4-5-12-23-18)14-17-6-2-3-8-19(17)24-13-11-22-10-9-20-16-22/h2-3,6,8-10,16,18H,4-5,7,11-15H2,1H3/t18-/m0/s1
InChIKeyVLUNLCHZMAABDM-SFHVURJKSA-N
XLogP2.96
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(oxan-4-yl)piperazine
CID 77080171
2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine
CID 95726729
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 134707313
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
1-[(3R,4R)-4-hydroxy-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155493668
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
The IUPAC name of N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine (CID 99941471) is N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine.
What is the SMILES notation for N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
The canonical SMILES for N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine is CN(Cc1ccccc1OCCn1ccnc1)C[C@@H]1CCCCO1.
What is the InChIKey of N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
The InChIKey is VLUNLCHZMAABDM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21(15-18-7-4-5-12-23-18)14-17-6-2-3-8-19(17)24-13-11-22-10-9-20-16-22/h2-3,6,8-10,16,18H,4-5,7,11-15H2,1H3/t18-/m0/s1.
What are the key properties of N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine?
N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine has a molecular weight of 329.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine is sourced from PubChem (CID 99941471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).