N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine

C16H26N2O — CID 104960940

IUPACN-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-4-17-9-15-5-7-16(8-6-15)12-18-10-13(2)19-14(3)11-18/h5-8,13-14,17H,4,9-12H2,1-3H3/t13-,14+
InChIKeyZQLLTDNCZOHSMY-OKILXGFUSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds5

About N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine

N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine (PubChem CID 104960940) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
PubChem CID104960940
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-4-17-9-15-5-7-16(8-6-15)12-18-10-13(2)19-14(3)11-18/h5-8,13-14,17H,4,9-12H2,1-3H3/t13-,14+
InChIKeyZQLLTDNCZOHSMY-OKILXGFUSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]propan-1-amine
CID 104960962
N-[[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-pyridinyl]methyl]ethanamine
CID 104961014
4-[[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methylamino]methyl]benzonitrile
CID 94193660
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62435983
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55070212
1-benzyl-3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 110955004
1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 51940497
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 24703494
3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 84597365
2-[cyclopropyl(methyl)amino]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 60503915

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine (CID 104960940) is N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine is CCNCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine?
The InChIKey is ZQLLTDNCZOHSMY-OKILXGFUSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-9-15-5-7-16(8-6-15)12-18-10-13(2)19-14(3)11-18/h5-8,13-14,17H,4,9-12H2,1-3H3/t13-,14+.
What are the key properties of N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine?
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 104960940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).