[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C14H21ClN2O2 — CID 114776448

IUPAC[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2c(N)cccc2Cl)CC(CO)O1
InChIInChI=1S/C14H21ClN2O2/c1-14(2)9-17(6-10(8-18)19-14)7-11-12(15)4-3-5-13(11)16/h3-5,10,18H,6-9,16H2,1-2H3
InChIKeyAPPCTYKMZFFPFO-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.89
Rot. Bonds3

About [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776448) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776448
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2c(N)cccc2Cl)CC(CO)O1
InChIInChI=1S/C14H21ClN2O2/c1-14(2)9-17(6-10(8-18)19-14)7-11-12(15)4-3-5-13(11)16/h3-5,10,18H,6-9,16H2,1-2H3
InChIKeyAPPCTYKMZFFPFO-UHFFFAOYSA-N
XLogP1.89
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 167885794
[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776376
1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777497
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 114776985
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779943
[6,6-dimethyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 114779835
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
CID 114777120

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776448) is [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(Cc2c(N)cccc2Cl)CC(CO)O1.
What is the InChIKey of [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is APPCTYKMZFFPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2)9-17(6-10(8-18)19-14)7-11-12(15)4-3-5-13(11)16/h3-5,10,18H,6-9,16H2,1-2H3.
What are the key properties of [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 284.79 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).