3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride

C21H28ClNO — CID 3060415

IUPAC3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride
SMILESCC(CNC1CCCC1)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-17(16-22-20-14-8-9-15-20)21(23,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20,22-23H,8-9,14-16H2,1H3;1H
InChIKeyGDIWWGYZBONIFY-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.51
Rot. Bonds6

About 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride

3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride (PubChem CID 3060415) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride
PubChem CID3060415
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride
SMILESCC(CNC1CCCC1)C(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-17(16-22-20-14-8-9-15-20)21(23,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20,22-23H,8-9,14-16H2,1H3;1H
InChIKeyGDIWWGYZBONIFY-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
The IUPAC name of 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride (CID 3060415) is 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride is CC(CNC1CCCC1)C(O)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
The InChIKey is GDIWWGYZBONIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-17(16-22-20-14-8-9-15-20)21(23,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20,22-23H,8-9,14-16H2,1H3;1H.
What are the key properties of 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride?
3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-2-methyl-1,1-diphenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3060415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).