4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline

C15H24N2O — CID 114066089

IUPAC4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCC[C@@H](N)c1ccc(N(C)CC2CCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-3-15(16)12-6-8-13(9-7-12)17(2)11-14-5-4-10-18-14/h6-9,14-15H,3-5,10-11,16H2,1-2H3/t14?,15-/m1/s1
InChIKeyXAPHFPLOFTUXNZ-YSSOQSIOSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds5

About 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline

4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 114066089) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID114066089
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCC[C@@H](N)c1ccc(N(C)CC2CCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-3-15(16)12-6-8-13(9-7-12)17(2)11-14-5-4-10-18-14/h6-9,14-15H,3-5,10-11,16H2,1-2H3/t14?,15-/m1/s1
InChIKeyXAPHFPLOFTUXNZ-YSSOQSIOSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114066213
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
1-(4-fluorophenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62642970
N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61434447
6-(1-aminopropyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 112584290
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432121

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline (CID 114066089) is 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline is CC[C@@H](N)c1ccc(N(C)CC2CCCO2)cc1.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is XAPHFPLOFTUXNZ-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-15(16)12-6-8-13(9-7-12)17(2)11-14-5-4-10-18-14/h6-9,14-15H,3-5,10-11,16H2,1-2H3/t14?,15-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline?
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 114066089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).