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

C14H21ClN2O2 — CID 114776297

IUPAC[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ccc(Cl)cc2CN)CC(CO)O1
InChIInChI=1S/C14H21ClN2O2/c1-14(2)9-17(7-12(8-18)19-14)13-4-3-11(15)5-10(13)6-16/h3-5,12,18H,6-9,16H2,1-2H3
InChIKeyFRVLZKDYWSRDAJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.77
Rot. Bonds3

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

[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776297) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776297
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ccc(Cl)cc2CN)CC(CO)O1
InChIInChI=1S/C14H21ClN2O2/c1-14(2)9-17(7-12(8-18)19-14)13-4-3-11(15)5-10(13)6-16/h3-5,12,18H,6-9,16H2,1-2H3
InChIKeyFRVLZKDYWSRDAJ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol with MolForge

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Related Compounds

5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777109
[4-(4-chloro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779472
4-chloro-N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777065
[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine
CID 62494323
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114777207
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 114777393
[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777539
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221
5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114776979
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114861313

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776297) is [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2ccc(Cl)cc2CN)CC(CO)O1.
What is the InChIKey of [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is FRVLZKDYWSRDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2)9-17(7-12(8-18)19-14)13-4-3-11(15)5-10(13)6-16/h3-5,12,18H,6-9,16H2,1-2H3.
What are the key properties of [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 284.79 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).