2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline

C15H26N2O — CID 82037132

IUPAC2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline
SMILESCCN(CC)CC(C)COc1ccc(C)cc1N
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)10-13(4)11-18-15-8-7-12(3)9-14(15)16/h7-9,13H,5-6,10-11,16H2,1-4H3
InChIKeyAVWSXAUARLKSOA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.93
Rot. Bonds7

About 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline

2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline (PubChem CID 82037132) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline
PubChem CID82037132
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline
SMILESCCN(CC)CC(C)COc1ccc(C)cc1N
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)10-13(4)11-18-15-8-7-12(3)9-14(15)16/h7-9,13H,5-6,10-11,16H2,1-4H3
InChIKeyAVWSXAUARLKSOA-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(diethylamino)-2-methylpropoxy]-5-nitroaniline
CID 82037838
2-(2,2-difluoroethoxy)-5-methylaniline
CID 19622888
4-[3-(2,4-diaminophenoxy)-2-methylpropoxy]benzene-1,3-diamine
CID 20551654
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79476746
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
3-[3-(diethylamino)-2-methylpropoxy]thiophene-2-carboxylic acid
CID 82037725
2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline
CID 11014135
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline?
The IUPAC name of 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline (CID 82037132) is 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline.
What is the SMILES notation for 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline?
The canonical SMILES for 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline is CCN(CC)CC(C)COc1ccc(C)cc1N.
What is the InChIKey of 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline?
The InChIKey is AVWSXAUARLKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(6-2)10-13(4)11-18-15-8-7-12(3)9-14(15)16/h7-9,13H,5-6,10-11,16H2,1-4H3.
What are the key properties of 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline?
2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)-2-methylpropoxy]-5-methylaniline is sourced from PubChem (CID 82037132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).