4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol

C13H21NO2 — CID 118278100

IUPAC4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(CC[C@@H](C)N)ccc1O
InChIInChI=1S/C13H21NO2/c1-9(2)16-13-8-11(5-4-10(3)14)6-7-12(13)15/h6-10,15H,4-5,14H2,1-3H3/t10-/m1/s1
InChIKeyHQQXJBVRIJNQOU-SNVBAGLBSA-N
MW223.32 g/mol
LogP2.46
Rot. Bonds5

About 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol

4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol (PubChem CID 118278100) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol.

Molecular Properties

Compound Name4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
PubChem CID118278100
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(CC[C@@H](C)N)ccc1O
InChIInChI=1S/C13H21NO2/c1-9(2)16-13-8-11(5-4-10(3)14)6-7-12(13)15/h6-10,15H,4-5,14H2,1-3H3/t10-/m1/s1
InChIKeyHQQXJBVRIJNQOU-SNVBAGLBSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
(3S)-3-amino-4-(4-hydroxy-3-propan-2-yloxyphenyl)butan-2-one
CID 167659155
4-[(3R)-3-aminobutyl]-2-iodophenol
CID 131145873
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
4-(3-methylbutyl)-2-(trifluoromethoxy)phenol
CID 123306584
(NE,R)-N-[4-(4-hydroxy-3-propan-2-yloxyphenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 118277995
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
4-amino-2-(3-aminobutyl)phenol
CID 84657538
2-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]guanidine
CID 112518124

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol?
The IUPAC name of 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol (CID 118278100) is 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol.
What is the SMILES notation for 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol?
The canonical SMILES for 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol is CC(C)Oc1cc(CC[C@@H](C)N)ccc1O.
What is the InChIKey of 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol?
The InChIKey is HQQXJBVRIJNQOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9(2)16-13-8-11(5-4-10(3)14)6-7-12(13)15/h6-10,15H,4-5,14H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol?
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol has a molecular weight of 223.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol is sourced from PubChem (CID 118278100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).