4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol

C13H21NO3 — CID 114151398

IUPAC4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
SMILESCOCC(CCO)NC(C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO3/c1-10(11-3-5-13(16)6-4-11)14-12(7-8-15)9-17-2/h3-6,10,12,14-16H,7-9H2,1-2H3
InChIKeyHFERCTDLSUKDMP-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.44
Rot. Bonds7

About 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol

4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol (PubChem CID 114151398) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
PubChem CID114151398
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
SMILESCOCC(CCO)NC(C)c1ccc(O)cc1
InChIInChI=1S/C13H21NO3/c1-10(11-3-5-13(16)6-4-11)14-12(7-8-15)9-17-2/h3-6,10,12,14-16H,7-9H2,1-2H3
InChIKeyHFERCTDLSUKDMP-UHFFFAOYSA-N
XLogP1.44
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
CID 115722605
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
CID 115722580
2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 104582639
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
CID 115722598
(2R)-2-[[(1S)-1-phenylethyl]amino]butane-1,4-diol
CID 14041040

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol (CID 114151398) is 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol is COCC(CCO)NC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol?
The InChIKey is HFERCTDLSUKDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(11-3-5-13(16)6-4-11)14-12(7-8-15)9-17-2/h3-6,10,12,14-16H,7-9H2,1-2H3.
What are the key properties of 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol?
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol has a molecular weight of 239.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 114151398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).