3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol

C14H22N2O2 — CID 79083417

IUPAC3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
SMILESCC(NCC1CN(C)CCO1)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-11(12-4-3-5-13(17)8-12)15-9-14-10-16(2)6-7-18-14/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3
InChIKeyAJSPMUKEWORBJK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.37
Rot. Bonds4

About 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol

3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol (PubChem CID 79083417) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
PubChem CID79083417
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
SMILESCC(NCC1CN(C)CCO1)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-11(12-4-3-5-13(17)8-12)15-9-14-10-16(2)6-7-18-14/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3
InChIKeyAJSPMUKEWORBJK-UHFFFAOYSA-N
XLogP1.37
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
N-[(4-methylmorpholin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 79079935
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
CID 104590668

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol (CID 79083417) is 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol is CC(NCC1CN(C)CCO1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol?
The InChIKey is AJSPMUKEWORBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(12-4-3-5-13(17)8-12)15-9-14-10-16(2)6-7-18-14/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol?
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 79083417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).