4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline

C16H28N2O — CID 63816309

IUPAC4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)COC)c(C)c1
InChIInChI=1S/C16H28N2O/c1-6-15(17)10-14-7-8-16(12(2)9-14)18(4)13(3)11-19-5/h7-9,13,15H,6,10-11,17H2,1-5H3
InChIKeyVZTSPHCUIRZXGM-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.75
Rot. Bonds7

About 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline

4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline (PubChem CID 63816309) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
PubChem CID63816309
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)COC)c(C)c1
InChIInChI=1S/C16H28N2O/c1-6-15(17)10-14-7-8-16(12(2)9-14)18(4)13(3)11-19-5/h7-9,13,15H,6,10-11,17H2,1-5H3
InChIKeyVZTSPHCUIRZXGM-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
4-[(1S)-1-aminoethyl]-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188888
[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 81151908
5-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylpyridin-2-amine
CID 80635092
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline (CID 63816309) is 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline is CCC(N)Cc1ccc(N(C)C(C)COC)c(C)c1.
What is the InChIKey of 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
The InChIKey is VZTSPHCUIRZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-15(17)10-14-7-8-16(12(2)9-14)18(4)13(3)11-19-5/h7-9,13,15H,6,10-11,17H2,1-5H3.
What are the key properties of 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline?
4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline has a molecular weight of 264.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline is sourced from PubChem (CID 63816309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).