3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline

C15H25NO2 — CID 43672004

IUPAC3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOCc1cccc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C15H25NO2/c1-12(10-15(2,3)18-5)16-14-8-6-7-13(9-14)11-17-4/h6-9,12,16H,10-11H2,1-5H3
InChIKeyJZJHONJLTVPGBQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.45
Rot. Bonds7

About 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline

3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline (PubChem CID 43672004) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
PubChem CID43672004
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOCc1cccc(NC(C)CC(C)(C)OC)c1
InChIInChI=1S/C15H25NO2/c1-12(10-15(2,3)18-5)16-14-8-6-7-13(9-14)11-17-4/h6-9,12,16H,10-11H2,1-5H3
InChIKeyJZJHONJLTVPGBQ-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
4-[3-(methoxymethyl)anilino]pentan-1-ol
CID 115975845
N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
CID 43147236
3-[3-(methoxymethyl)anilino]-2-methylbutanoic acid
CID 79392392
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
3-(methoxymethyl)-N-methylaniline
CID 23080905
2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
CID 43716067

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The IUPAC name of 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline (CID 43672004) is 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The canonical SMILES for 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline is COCc1cccc(NC(C)CC(C)(C)OC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The InChIKey is JZJHONJLTVPGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(10-15(2,3)18-5)16-14-8-6-7-13(9-14)11-17-4/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline?
3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline has a molecular weight of 251.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43672004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).