[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol

C17H28N2O2 — CID 114777535

IUPAC[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
SMILESCC(C)NCc1ccccc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C17H28N2O2/c1-13(2)18-9-14-7-5-6-8-16(14)19-10-15(11-20)21-17(3,4)12-19/h5-8,13,15,18,20H,9-12H2,1-4H3
InChIKeyIJYJUVJNBFJNQN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.16
Rot. Bonds5

About [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol

[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol (PubChem CID 114777535) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
PubChem CID114777535
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
SMILESCC(C)NCc1ccccc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C17H28N2O2/c1-13(2)18-9-14-7-5-6-8-16(14)19-10-15(11-20)21-17(3,4)12-19/h5-8,13,15,18,20H,9-12H2,1-4H3
InChIKeyIJYJUVJNBFJNQN-UHFFFAOYSA-N
XLogP2.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol with MolForge

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Related Compounds

[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777542
N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246226
[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777528
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
CID 66394076
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 104969871
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 114777393
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-6-methylsulfanylbenzenecarbothioamide
CID 114776969
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol (CID 114777535) is [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol is CC(C)NCc1ccccc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol?
The InChIKey is IJYJUVJNBFJNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)18-9-14-7-5-6-8-16(14)19-10-15(11-20)21-17(3,4)12-19/h5-8,13,15,18,20H,9-12H2,1-4H3.
What are the key properties of [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol?
[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114777535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).