2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol

C15H25NO2 — CID 54954546

IUPAC2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)c(OC)c1)C(C)C
InChIInChI=1S/C15H25NO2/c1-6-13(10(2)3)16-11(4)12-7-8-14(17)15(9-12)18-5/h7-11,13,16-17H,6H2,1-5H3
InChIKeyZGCBHCYEZWIPOT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.49
Rot. Bonds6

About 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol

2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol (PubChem CID 54954546) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
PubChem CID54954546
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)c(OC)c1)C(C)C
InChIInChI=1S/C15H25NO2/c1-6-13(10(2)3)16-11(4)12-7-8-14(17)15(9-12)18-5/h7-11,13,16-17H,6H2,1-5H3
InChIKeyZGCBHCYEZWIPOT-UHFFFAOYSA-N
XLogP3.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43573995

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol (CID 54954546) is 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol is CCC(NC(C)c1ccc(O)c(OC)c1)C(C)C.
What is the InChIKey of 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol?
The InChIKey is ZGCBHCYEZWIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13(10(2)3)16-11(4)12-7-8-14(17)15(9-12)18-5/h7-11,13,16-17H,6H2,1-5H3.
What are the key properties of 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol?
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol is sourced from PubChem (CID 54954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).