N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline

C16H27NO3 — CID 71396477

IUPACN-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline
SMILESCCCOC(CNc1c(C)cccc1OC)OCCC
InChIInChI=1S/C16H27NO3/c1-5-10-19-15(20-11-6-2)12-17-16-13(3)8-7-9-14(16)18-4/h7-9,15,17H,5-6,10-12H2,1-4H3
InChIKeyVORLHHPUDFYAHE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.59
Rot. Bonds10

About N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline

N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline (PubChem CID 71396477) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline.

Molecular Properties

Compound NameN-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline
PubChem CID71396477
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline
SMILESCCCOC(CNc1c(C)cccc1OC)OCCC
InChIInChI=1S/C16H27NO3/c1-5-10-19-15(20-11-6-2)12-17-16-13(3)8-7-9-14(16)18-4/h7-9,15,17H,5-6,10-12H2,1-4H3
InChIKeyVORLHHPUDFYAHE-UHFFFAOYSA-N
XLogP3.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methoxy-6-methylaniline
CID 22769655
2-methoxy-N-(2-methoxyethyl)-6-methylaniline
CID 131854932
2-(2,2-diethoxyethylamino)-3-methoxybenzonitrile
CID 107467407
1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
CID 114772004
N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline
CID 67857831
1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one
CID 83224989
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674
2-butyl-1,3-dimethoxybenzene
CID 524840
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 54810086

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline?
The IUPAC name of N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline (CID 71396477) is N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline.
What is the SMILES notation for N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline?
The canonical SMILES for N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline is CCCOC(CNc1c(C)cccc1OC)OCCC.
What is the InChIKey of N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline?
The InChIKey is VORLHHPUDFYAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-10-19-15(20-11-6-2)12-17-16-13(3)8-7-9-14(16)18-4/h7-9,15,17H,5-6,10-12H2,1-4H3.
What are the key properties of N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline?
N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline has a molecular weight of 281.40 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline is sourced from PubChem (CID 71396477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).