N-(3-methoxy-3-methylbutyl)-3-propoxyaniline

C15H25NO2 — CID 102975708

IUPACN-(3-methoxy-3-methylbutyl)-3-propoxyaniline
SMILESCCCOc1cccc(NCCC(C)(C)OC)c1
InChIInChI=1S/C15H25NO2/c1-5-11-18-14-8-6-7-13(12-14)16-10-9-15(2,3)17-4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyISPVBAXFQFFGQY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.70
Rot. Bonds8

About N-(3-methoxy-3-methylbutyl)-3-propoxyaniline

N-(3-methoxy-3-methylbutyl)-3-propoxyaniline (PubChem CID 102975708) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-3-propoxyaniline
PubChem CID102975708
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(3-methoxy-3-methylbutyl)-3-propoxyaniline
SMILESCCCOc1cccc(NCCC(C)(C)OC)c1
InChIInChI=1S/C15H25NO2/c1-5-11-18-14-8-6-7-13(12-14)16-10-9-15(2,3)17-4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyISPVBAXFQFFGQY-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
3-butoxy-N-octylaniline
CID 54800685
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-(2-ethylbutyl)-3-propoxyaniline
CID 43693684
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
3-ethoxy-N-propylaniline
CID 54800867
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
N-phenyl-3-propoxyaniline
CID 71334741

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-3-propoxyaniline?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-3-propoxyaniline (CID 102975708) is N-(3-methoxy-3-methylbutyl)-3-propoxyaniline.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-3-propoxyaniline?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-3-propoxyaniline is CCCOc1cccc(NCCC(C)(C)OC)c1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-3-propoxyaniline?
The InChIKey is ISPVBAXFQFFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-11-18-14-8-6-7-13(12-14)16-10-9-15(2,3)17-4/h6-8,12,16H,5,9-11H2,1-4H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-3-propoxyaniline?
N-(3-methoxy-3-methylbutyl)-3-propoxyaniline has a molecular weight of 251.37 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-3-propoxyaniline is sourced from PubChem (CID 102975708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).