2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline

C15H26N2O — CID 54987089

IUPAC2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1ccccc1C(C)N
InChIInChI=1S/C15H26N2O/c1-12(2)11-17(9-10-18-4)15-8-6-5-7-14(15)13(3)16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyXXJAPVCXZHFWDX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds7

About 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline (PubChem CID 54987089) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
PubChem CID54987089
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
SMILESCOCCN(CC(C)C)c1ccccc1C(C)N
InChIInChI=1S/C15H26N2O/c1-12(2)11-17(9-10-18-4)15-8-6-5-7-14(15)13(3)16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyXXJAPVCXZHFWDX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
2-[1-(ethylamino)propyl]-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 115995016
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
2-(2-aminopropyl)-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 63817543
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
2-(1-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 55010184

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline (CID 54987089) is 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline is COCCN(CC(C)C)c1ccccc1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
The InChIKey is XXJAPVCXZHFWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)11-17(9-10-18-4)15-8-6-5-7-14(15)13(3)16/h5-8,12-13H,9-11,16H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline?
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline has a molecular weight of 250.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 54987089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).