4-[2-(2-methoxyethoxyamino)propyl]phenol

C12H19NO3 — CID 82715001

IUPAC4-[2-(2-methoxyethoxyamino)propyl]phenol
SMILESCOCCONC(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H19NO3/c1-10(13-16-8-7-15-2)9-11-3-5-12(14)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyJZNYNCYDVMRYAG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.49
Rot. Bonds7

About 4-[2-(2-methoxyethoxyamino)propyl]phenol

4-[2-(2-methoxyethoxyamino)propyl]phenol (PubChem CID 82715001) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxyamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxyamino)propyl]phenol
PubChem CID82715001
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[2-(2-methoxyethoxyamino)propyl]phenol
SMILESCOCCONC(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H19NO3/c1-10(13-16-8-7-15-2)9-11-3-5-12(14)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyJZNYNCYDVMRYAG-UHFFFAOYSA-N
XLogP1.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
CID 106245098
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 61148762
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxyamino)propyl]phenol?
The IUPAC name of 4-[2-(2-methoxyethoxyamino)propyl]phenol (CID 82715001) is 4-[2-(2-methoxyethoxyamino)propyl]phenol.
What is the SMILES notation for 4-[2-(2-methoxyethoxyamino)propyl]phenol?
The canonical SMILES for 4-[2-(2-methoxyethoxyamino)propyl]phenol is COCCONC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-methoxyethoxyamino)propyl]phenol?
The InChIKey is JZNYNCYDVMRYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(13-16-8-7-15-2)9-11-3-5-12(14)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethoxyamino)propyl]phenol?
4-[2-(2-methoxyethoxyamino)propyl]phenol has a molecular weight of 225.29 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxyamino)propyl]phenol is sourced from PubChem (CID 82715001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).