4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol

C14H23NO3 — CID 106245098

IUPAC4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
SMILESCOCC(O)CCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H23NO3/c1-11(15-8-7-14(17)10-18-2)9-12-3-5-13(16)6-4-12/h3-6,11,14-17H,7-10H2,1-2H3
InChIKeyZTDVDMJKADJHTL-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.31
Rot. Bonds8

About 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol

4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol (PubChem CID 106245098) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
PubChem CID106245098
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
SMILESCOCC(O)CCNC(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H23NO3/c1-11(15-8-7-14(17)10-18-2)9-12-3-5-13(16)6-4-12/h3-6,11,14-17H,7-10H2,1-2H3
InChIKeyZTDVDMJKADJHTL-UHFFFAOYSA-N
XLogP1.31
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol
CID 103906000
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
1-methoxy-4-(5-methylhexan-2-ylamino)butan-2-ol
CID 115897174
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-(2-methoxyethoxyamino)propyl]phenol
CID 82715001
4-[2-(decylamino)propyl]phenol
CID 115494442
4-[1-(4-methylphenyl)propan-2-ylamino]butan-2-ol
CID 115720232
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
CID 115494352

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol (CID 106245098) is 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol is COCC(O)CCNC(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol?
The InChIKey is ZTDVDMJKADJHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(15-8-7-14(17)10-18-2)9-12-3-5-13(16)6-4-12/h3-6,11,14-17H,7-10H2,1-2H3.
What are the key properties of 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol?
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol has a molecular weight of 253.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol is sourced from PubChem (CID 106245098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).