N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline

C16H26N2O — CID 62568875

IUPACN-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline
SMILESCC1CN(C(C)CNc2ccccc2)CC(C)(C)O1
InChIInChI=1S/C16H26N2O/c1-13(10-17-15-8-6-5-7-9-15)18-11-14(2)19-16(3,4)12-18/h5-9,13-14,17H,10-12H2,1-4H3
InChIKeyNFNBKWSNPCQNKF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.99
Rot. Bonds4

About N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline

N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline (PubChem CID 62568875) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline
PubChem CID62568875
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline
SMILESCC1CN(C(C)CNc2ccccc2)CC(C)(C)O1
InChIInChI=1S/C16H26N2O/c1-13(10-17-15-8-6-5-7-9-15)18-11-14(2)19-16(3,4)12-18/h5-9,13-14,17H,10-12H2,1-4H3
InChIKeyNFNBKWSNPCQNKF-UHFFFAOYSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline?
The IUPAC name of N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline (CID 62568875) is N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline.
What is the SMILES notation for N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline?
The canonical SMILES for N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline is CC1CN(C(C)CNc2ccccc2)CC(C)(C)O1.
What is the InChIKey of N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline?
The InChIKey is NFNBKWSNPCQNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(10-17-15-8-6-5-7-9-15)18-11-14(2)19-16(3,4)12-18/h5-9,13-14,17H,10-12H2,1-4H3.
What are the key properties of N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline?
N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline is sourced from PubChem (CID 62568875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).