2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline

C17H28N2O — CID 63815654

IUPAC2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccccc1CC(C)N)C(C)C1CC1
InChIInChI=1S/C17H28N2O/c1-13(18)12-16-6-4-5-7-17(16)19(10-11-20-3)14(2)15-8-9-15/h4-7,13-15H,8-12,18H2,1-3H3
InChIKeyJKUNVSFRYAOESI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds8

About 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline

2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline (PubChem CID 63815654) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
PubChem CID63815654
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
SMILESCOCCN(c1ccccc1CC(C)N)C(C)C1CC1
InChIInChI=1S/C17H28N2O/c1-13(18)12-16-6-4-5-7-17(16)19(10-11-20-3)14(2)15-8-9-15/h4-7,13-15H,8-12,18H2,1-3H3
InChIKeyJKUNVSFRYAOESI-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 55002820
[5-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]phenyl]methanol
CID 114845469
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 78935385
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
CID 115545540
2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944970
4-(aminomethyl)-2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63086671
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline (CID 63815654) is 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline is COCCN(c1ccccc1CC(C)N)C(C)C1CC1.
What is the InChIKey of 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
The InChIKey is JKUNVSFRYAOESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(18)12-16-6-4-5-7-17(16)19(10-11-20-3)14(2)15-8-9-15/h4-7,13-15H,8-12,18H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline?
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 63815654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).