2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline

C14H23NO3 — CID 103033084

IUPAC2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOc1ccc(OC)c(NCCC(C)(C)OC)c1
InChIInChI=1S/C14H23NO3/c1-14(2,18-5)8-9-15-12-10-11(16-3)6-7-13(12)17-4/h6-7,10,15H,8-9H2,1-5H3
InChIKeyPIZZPMJSXIHRFI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.93
Rot. Bonds7

About 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline

2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline (PubChem CID 103033084) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
PubChem CID103033084
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
SMILESCOc1ccc(OC)c(NCCC(C)(C)OC)c1
InChIInChI=1S/C14H23NO3/c1-14(2,18-5)8-9-15-12-10-11(16-3)6-7-13(12)17-4/h6-7,10,15H,8-9H2,1-5H3
InChIKeyPIZZPMJSXIHRFI-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 102975690
5-(2,5-dimethoxyanilino)pentanenitrile
CID 60680727
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445
N-(3-chloro-2-methylphenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807475
N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54806452
1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62373660

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline?
The IUPAC name of 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline (CID 103033084) is 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline.
What is the SMILES notation for 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline?
The canonical SMILES for 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline is COc1ccc(OC)c(NCCC(C)(C)OC)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline?
The InChIKey is PIZZPMJSXIHRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,18-5)8-9-15-12-10-11(16-3)6-7-13(12)17-4/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline?
2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline has a molecular weight of 253.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline is sourced from PubChem (CID 103033084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).