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

C16H26N2O — CID 104960603

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(N)CCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-5-4-6-15(9-12)16(17)7-8-18-10-13(2)19-14(3)11-18/h4-6,9,13-14,16H,7-8,10-11,17H2,1-3H3/t13-,14+,16?
InChIKeyZTZHHUQZDPXBJQ-MZBDJJRSSA-N
MW262.40 g/mol
LogP2.49
Rot. Bonds4

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

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine (PubChem CID 104960603) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
PubChem CID104960603
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(N)CCN2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-5-4-6-15(9-12)16(17)7-8-18-10-13(2)19-14(3)11-18/h4-6,9,13-14,16H,7-8,10-11,17H2,1-3H3/t13-,14+,16?
InChIKeyZTZHHUQZDPXBJQ-MZBDJJRSSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
CID 62941921
2-(2-methylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310875
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
CID 102936392
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
CID 104960773
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylphenyl)propan-1-amine
CID 102886557
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine (CID 104960603) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine is Cc1cccc(C(N)CCN2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine?
The InChIKey is ZTZHHUQZDPXBJQ-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-4-6-15(9-12)16(17)7-8-18-10-13(2)19-14(3)11-18/h4-6,9,13-14,16H,7-8,10-11,17H2,1-3H3/t13-,14+,16?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 104960603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).