2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol

C13H18ClNO2 — CID 82976790

IUPAC2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1(C)CN(Cc2ccc(O)c(Cl)c2)CCO1
InChIInChI=1S/C13H18ClNO2/c1-13(2)9-15(5-6-17-13)8-10-3-4-12(16)11(14)7-10/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyBVMIWFWTTRUQJP-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.66
Rot. Bonds2

About 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol

2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol (PubChem CID 82976790) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
PubChem CID82976790
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
SMILESCC1(C)CN(Cc2ccc(O)c(Cl)c2)CCO1
InChIInChI=1S/C13H18ClNO2/c1-13(2)9-15(5-6-17-13)8-10-3-4-12(16)11(14)7-10/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyBVMIWFWTTRUQJP-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
CID 43592942
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-iodoaniline
CID 112750999
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 115557043
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061313
[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
5-[(2,2-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62184542

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol (CID 82976790) is 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol is CC1(C)CN(Cc2ccc(O)c(Cl)c2)CCO1.
What is the InChIKey of 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
The InChIKey is BVMIWFWTTRUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2)9-15(5-6-17-13)8-10-3-4-12(16)11(14)7-10/h3-4,7,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol?
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol has a molecular weight of 255.74 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 82976790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).