4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol

C15H23NO2 — CID 63989091

IUPAC4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC(C)CC2CC2)ccc1O
InChIInChI=1S/C15H23NO2/c1-10(8-12-4-5-12)16-11(2)13-6-7-14(17)15(9-13)18-3/h6-7,9-12,16-17H,4-5,8H2,1-3H3
InChIKeyTUYIBIKTHFFDSL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.24
Rot. Bonds6

About 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol

4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol (PubChem CID 63989091) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
PubChem CID63989091
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC(C)CC2CC2)ccc1O
InChIInChI=1S/C15H23NO2/c1-10(8-12-4-5-12)16-11(2)13-6-7-14(17)15(9-13)18-3/h6-7,9-12,16-17H,4-5,8H2,1-3H3
InChIKeyTUYIBIKTHFFDSL-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
1-cyclopropyl-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-2-amine
CID 63989729
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908
1-cyclopropyl-N-[1-(6-methoxynaphthalen-2-yl)ethyl]propan-2-amine
CID 63989530
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol (CID 63989091) is 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol is COc1cc(C(C)NC(C)CC2CC2)ccc1O.
What is the InChIKey of 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol?
The InChIKey is TUYIBIKTHFFDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(8-12-4-5-12)16-11(2)13-6-7-14(17)15(9-13)18-3/h6-7,9-12,16-17H,4-5,8H2,1-3H3.
What are the key properties of 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol?
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 63989091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).