2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline

C16H28N2O — CID 112678052

IUPAC2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
SMILESCCC(N)c1ccccc1N(CCOC)C(C)CC
InChIInChI=1S/C16H28N2O/c1-5-13(3)18(11-12-19-4)16-10-8-7-9-14(16)15(17)6-2/h7-10,13,15H,5-6,11-12,17H2,1-4H3
InChIKeyYXTGUCGXYGELRX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.35
Rot. Bonds8

About 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline

2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline (PubChem CID 112678052) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
PubChem CID112678052
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
SMILESCCC(N)c1ccccc1N(CCOC)C(C)CC
InChIInChI=1S/C16H28N2O/c1-5-13(3)18(11-12-19-4)16-10-8-7-9-14(16)15(17)6-2/h7-10,13,15H,5-6,11-12,17H2,1-4H3
InChIKeyYXTGUCGXYGELRX-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066
2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 103959097
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
CID 103958727
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline (CID 112678052) is 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline is CCC(N)c1ccccc1N(CCOC)C(C)CC.
What is the InChIKey of 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline?
The InChIKey is YXTGUCGXYGELRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-13(3)18(11-12-19-4)16-10-8-7-9-14(16)15(17)6-2/h7-10,13,15H,5-6,11-12,17H2,1-4H3.
What are the key properties of 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline?
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline has a molecular weight of 264.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 112678052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).