2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol

C13H20N2O2 — CID 43562236

IUPAC2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
SMILESCCC1CN(Cc2ccc(O)c(N)c2)CCO1
InChIInChI=1S/C13H20N2O2/c1-2-11-9-15(5-6-17-11)8-10-3-4-13(16)12(14)7-10/h3-4,7,11,16H,2,5-6,8-9,14H2,1H3
InChIKeyJEFXQLKMPHEVEP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol

2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol (PubChem CID 43562236) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
PubChem CID43562236
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
SMILESCCC1CN(Cc2ccc(O)c(N)c2)CCO1
InChIInChI=1S/C13H20N2O2/c1-2-11-9-15(5-6-17-11)8-10-3-4-13(16)12(14)7-10/h3-4,7,11,16H,2,5-6,8-9,14H2,1H3
InChIKeyJEFXQLKMPHEVEP-UHFFFAOYSA-N
XLogP1.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[(2-ethyl-1,4-oxazepan-4-yl)methyl]phenol
CID 114218284
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182229
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
4-[(2-ethylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882475
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
CID 34894357
2-amino-4-(azepan-1-ylmethyl)phenol;dihydrobromide
CID 47003390

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol (CID 43562236) is 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol is CCC1CN(Cc2ccc(O)c(N)c2)CCO1.
What is the InChIKey of 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
The InChIKey is JEFXQLKMPHEVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-11-9-15(5-6-17-11)8-10-3-4-13(16)12(14)7-10/h3-4,7,11,16H,2,5-6,8-9,14H2,1H3.
What are the key properties of 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol?
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 43562236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).