N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline

C15H24N2O — CID 104961099

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline
SMILESCC(CNc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-12(9-16-15-7-5-4-6-8-15)17-10-13(2)18-14(3)11-17/h4-8,12-14,16H,9-11H2,1-3H3/t12?,13-,14+
InChIKeyPZPNMGBGLGSXKT-AGUYFDCRSA-N
MW248.37 g/mol
LogP2.60
Rot. Bonds4

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline (PubChem CID 104961099) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline
PubChem CID104961099
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline
SMILESCC(CNc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H24N2O/c1-12(9-16-15-7-5-4-6-8-15)17-10-13(2)18-14(3)11-17/h4-8,12-14,16H,9-11H2,1-3H3/t12?,13-,14+
InChIKeyPZPNMGBGLGSXKT-AGUYFDCRSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline (CID 104961099) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline is CC(CNc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline?
The InChIKey is PZPNMGBGLGSXKT-AGUYFDCRSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(9-16-15-7-5-4-6-8-15)17-10-13(2)18-14(3)11-17/h4-8,12-14,16H,9-11H2,1-3H3/t12?,13-,14+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline is sourced from PubChem (CID 104961099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).