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

C16H26N2O — CID 104961314

IUPAC1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-15(8-12(2)17)5-6-16(11)18-9-13(3)19-14(4)10-18/h5-7,12-14H,8-10,17H2,1-4H3/t12?,13-,14+
InChIKeyGLZFGOBSHKITGF-AGUYFDCRSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds3

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

1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine (PubChem CID 104961314) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine
PubChem CID104961314
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-15(8-12(2)17)5-6-16(11)18-9-13(3)19-14(4)10-18/h5-7,12-14H,8-10,17H2,1-4H3/t12?,13-,14+
InChIKeyGLZFGOBSHKITGF-AGUYFDCRSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
Benzenamine, 2-ethyl-N-[(1S)-2-methoxy-1-methylethyl]-6-methyl-
CID 10130489
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
4-Morpholinecarboxamide, N-(2,4-dimethylphenyl)-
CID 2306921
Morpholine, 4-(p-anilinobenzyl)-
CID 100777
2-Oxiranemethanamine, N,N'-[methylenebis(2-ethyl-4,1-phenylene)]bis[N-(2-oxiranylmethyl)-
CID 159509
Benzenamine, N-(2-methoxyethyl)-2,6-dimethyl-
CID 170858
[3-Fluoro-4-(morpholin-4-yl)phenyl]methanamine
CID 11572017

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine (CID 104961314) is 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine is Cc1cc(CC(C)N)ccc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine?
The InChIKey is GLZFGOBSHKITGF-AGUYFDCRSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-15(8-12(2)17)5-6-16(11)18-9-13(3)19-14(4)10-18/h5-7,12-14H,8-10,17H2,1-4H3/t12?,13-,14+.
What are the key properties of 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine?
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 104961314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).