N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine

C19H27N3O3 — CID 128976525

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
SMILESCOc1ccc(CNC(c2nccn2C)C2CCOCC2)c(OC)c1
InChIInChI=1S/C19H27N3O3/c1-22-9-8-20-19(22)18(14-6-10-25-11-7-14)21-13-15-4-5-16(23-2)12-17(15)24-3/h4-5,8-9,12,14,18,21H,6-7,10-11,13H2,1-3H3
InChIKeyUAAMWWDDBRCPNS-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.69
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine (PubChem CID 128976525) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
PubChem CID128976525
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
SMILESCOc1ccc(CNC(c2nccn2C)C2CCOCC2)c(OC)c1
InChIInChI=1S/C19H27N3O3/c1-22-9-8-20-19(22)18(14-6-10-25-11-7-14)21-13-15-4-5-16(23-2)12-17(15)24-3/h4-5,8-9,12,14,18,21H,6-7,10-11,13H2,1-3H3
InChIKeyUAAMWWDDBRCPNS-UHFFFAOYSA-N
XLogP2.69
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483597
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
CID 129351793
4-[[[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]benzonitrile
CID 128976489
(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483407
(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 129483872
(1S)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483478
N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62385101
(1R)-1-(1-methylimidazol-2-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 100706227
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
4-[[[(R)-(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]-2-methoxybenzonitrile
CID 129483498
4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 154736623

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine (CID 128976525) is N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine is COc1ccc(CNC(c2nccn2C)C2CCOCC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
The InChIKey is UAAMWWDDBRCPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-22-9-8-20-19(22)18(14-6-10-25-11-7-14)21-13-15-4-5-16(23-2)12-17(15)24-3/h4-5,8-9,12,14,18,21H,6-7,10-11,13H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine has a molecular weight of 345.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 128976525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).