2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride

C19H26ClNO — CID 44522378

IUPAC2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride
SMILESCCC(C)NCCC(c1ccccc1)c1ccccc1O.Cl
InChIInChI=1S/C19H25NO.ClH/c1-3-15(2)20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)21;/h4-12,15,17,20-21H,3,13-14H2,1-2H3;1H
InChIKeyRSAZDRQZRYZHBS-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.72
Rot. Bonds7

About 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride

2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride (PubChem CID 44522378) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride
PubChem CID44522378
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Name2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride
SMILESCCC(C)NCCC(c1ccccc1)c1ccccc1O.Cl
InChIInChI=1S/C19H25NO.ClH/c1-3-15(2)20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)21;/h4-12,15,17,20-21H,3,13-14H2,1-2H3;1H
InChIKeyRSAZDRQZRYZHBS-UHFFFAOYSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride?
The IUPAC name of 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride (CID 44522378) is 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride.
What is the SMILES notation for 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride?
The canonical SMILES for 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride is CCC(C)NCCC(c1ccccc1)c1ccccc1O.Cl.
What is the InChIKey of 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride?
The InChIKey is RSAZDRQZRYZHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO.ClH/c1-3-15(2)20-14-13-17(16-9-5-4-6-10-16)18-11-7-8-12-19(18)21;/h4-12,15,17,20-21H,3,13-14H2,1-2H3;1H.
What are the key properties of 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride?
2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride has a molecular weight of 319.88 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(butan-2-ylamino)-1-phenylpropyl]phenol;hydrochloride is sourced from PubChem (CID 44522378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).