1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol

C15H25NO2 — CID 114066905

IUPAC1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(CCOC)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(17)13-6-8-14(9-7-13)16(12(2)3)10-11-18-4/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyHZZOZFMIAIDUSW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds7

About 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol

1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol (PubChem CID 114066905) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
PubChem CID114066905
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(CCOC)C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-5-15(17)13-6-8-14(9-7-13)16(12(2)3)10-11-18-4/h6-9,12,15,17H,5,10-11H2,1-4H3
InChIKeyHZZOZFMIAIDUSW-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
(1S)-1-[5-[2-methoxyethyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938942
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
1-[4-[cyclopropyl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 114066816
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
CID 82951599
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
(1R)-1-[5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938600
1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol
CID 114066804
(1S)-1-[3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950797

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol (CID 114066905) is 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol is CCC(O)c1ccc(N(CCOC)C(C)C)cc1.
What is the InChIKey of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
The InChIKey is HZZOZFMIAIDUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(17)13-6-8-14(9-7-13)16(12(2)3)10-11-18-4/h6-9,12,15,17H,5,10-11H2,1-4H3.
What are the key properties of 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol?
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 114066905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).