2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine

C16H26N2O — CID 104958196

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
SMILESCC(c1ccccc1)C(CN)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H26N2O/c1-12-10-18(11-13(2)19-12)16(9-17)14(3)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11,17H2,1-3H3/t12-,13+,14?,16?
InChIKeyIYVXKBQCWMRGSG-KKNUOHPOSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine (PubChem CID 104958196) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
PubChem CID104958196
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
SMILESCC(c1ccccc1)C(CN)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H26N2O/c1-12-10-18(11-13(2)19-12)16(9-17)14(3)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11,17H2,1-3H3/t12-,13+,14?,16?
InChIKeyIYVXKBQCWMRGSG-KKNUOHPOSA-N
XLogP2.23
TPSA38.49 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 61222019
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 62937911
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
CID 61218423
3-(2,6-dimethylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62779115
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
CID 51670774
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
2-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 16782210

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine (CID 104958196) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine is CC(c1ccccc1)C(CN)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine?
The InChIKey is IYVXKBQCWMRGSG-KKNUOHPOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-18(11-13(2)19-12)16(9-17)14(3)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11,17H2,1-3H3/t12-,13+,14?,16?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine is sourced from PubChem (CID 104958196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).