2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride

C14H24ClNO2 — CID 2979237

IUPAC2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccccc1OC(C)C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3;/h5-8,11,13,15-16H,4,9-10H2,1-3H3;1H
InChIKeyFOWXYXBIPVVXIO-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.76
Rot. Bonds7

About 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride

2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride (PubChem CID 2979237) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride
PubChem CID2979237
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccccc1OC(C)C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3;/h5-8,11,13,15-16H,4,9-10H2,1-3H3;1H
InChIKeyFOWXYXBIPVVXIO-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride (CID 2979237) is 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1ccccc1OC(C)C.Cl.
What is the InChIKey of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride?
The InChIKey is FOWXYXBIPVVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-4-13(10-16)15-9-12-7-5-6-8-14(12)17-11(2)3;/h5-8,11,13,15-16H,4,9-10H2,1-3H3;1H.
What are the key properties of 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride?
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 2979237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).