2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline

C15H23NO2 — CID 170279439

IUPAC2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline
SMILESCOc1cc(C)ccc1N(C)CC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-12-4-5-14(15(10-12)17-3)16(2)11-13-6-8-18-9-7-13/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyRWTHXDDDQBDICM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds4

About 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline

2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline (PubChem CID 170279439) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline
PubChem CID170279439
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline
SMILESCOc1cc(C)ccc1N(C)CC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-12-4-5-14(15(10-12)17-3)16(2)11-13-6-8-18-9-7-13/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyRWTHXDDDQBDICM-UHFFFAOYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 55227035
N-ethyl-2-methoxy-N,4-dimethylaniline
CID 90305517
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
5-fluoro-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 63707524
N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline
CID 153334069
N,2-dimethyl-N-(oxan-4-ylmethyl)-4-(propylaminomethyl)aniline
CID 63711399
5-(bromomethyl)-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 114063599
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 78948266
[1-(2-methoxy-5-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298761
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81145002

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline (CID 170279439) is 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline is COc1cc(C)ccc1N(C)CC1CCOCC1.
What is the InChIKey of 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is RWTHXDDDQBDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-5-14(15(10-12)17-3)16(2)11-13-6-8-18-9-7-13/h4-5,10,13H,6-9,11H2,1-3H3.
What are the key properties of 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline?
2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 249.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 170279439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).