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

C14H23NO2 — CID 43131291

IUPAC2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
SMILESCOc1cc(C(C)NC(C)C(C)C)ccc1O
InChIInChI=1S/C14H23NO2/c1-9(2)10(3)15-11(4)12-6-7-13(16)14(8-12)17-5/h6-11,15-16H,1-5H3
InChIKeyFBHUEVOCBUZRCA-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.10
Rot. Bonds5

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

2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol (PubChem CID 43131291) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
PubChem CID43131291
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
SMILESCOc1cc(C(C)NC(C)C(C)C)ccc1O
InChIInChI=1S/C14H23NO2/c1-9(2)10(3)15-11(4)12-6-7-13(16)14(8-12)17-5/h6-11,15-16H,1-5H3
InChIKeyFBHUEVOCBUZRCA-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
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
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43573995
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
4-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81378019
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol (CID 43131291) is 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol is COc1cc(C(C)NC(C)C(C)C)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
The InChIKey is FBHUEVOCBUZRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9(2)10(3)15-11(4)12-6-7-13(16)14(8-12)17-5/h6-11,15-16H,1-5H3.
What are the key properties of 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol?
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43131291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).