[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine

C14H22N2O — CID 107105834

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H22N2O/c1-10-5-4-6-13(7-15)14(10)16-8-11(2)17-12(3)9-16/h4-6,11-12H,7-9,15H2,1-3H3/t11-,12+
InChIKeyZVHYSSPKIKRFAN-TXEJJXNPSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds2

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

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine (PubChem CID 107105834) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
PubChem CID107105834
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H22N2O/c1-10-5-4-6-13(7-15)14(10)16-8-11(2)17-12(3)9-16/h4-6,11-12H,7-9,15H2,1-3H3/t11-,12+
InChIKeyZVHYSSPKIKRFAN-TXEJJXNPSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
CID 107105724
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113021
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine
CID 62299635
[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 62299451
[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
CID 107105667
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 107105483
3-chloro-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]aniline
CID 30044459
[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63051244
[6-methyl-4-(2,4,6-trimethylphenyl)morpholin-2-yl]methanamine
CID 82296607

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine (CID 107105834) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine is Cc1cccc(CN)c1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine?
The InChIKey is ZVHYSSPKIKRFAN-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-4-6-13(7-15)14(10)16-8-11(2)17-12(3)9-16/h4-6,11-12H,7-9,15H2,1-3H3/t11-,12+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.07, 2 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-methylphenyl]methanamine is sourced from PubChem (CID 107105834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).