1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride

C18H30ClNO2 — CID 2969124

IUPAC1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(O)CNC2CCCC2)c1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-13(2)17-9-8-14(3)10-18(17)21-12-16(20)11-19-15-6-4-5-7-15;/h8-10,13,15-16,19-20H,4-7,11-12H2,1-3H3;1H
InChIKeyQJGNZTQRNUNRFA-UHFFFAOYSA-N
MW327.90 g/mol
LogP3.81
Rot. Bonds7

About 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride

1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride (PubChem CID 2969124) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
PubChem CID2969124
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(O)CNC2CCCC2)c1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-13(2)17-9-8-14(3)10-18(17)21-12-16(20)11-19-15-6-4-5-7-15;/h8-10,13,15-16,19-20H,4-7,11-12H2,1-3H3;1H
InChIKeyQJGNZTQRNUNRFA-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride (CID 2969124) is 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride is Cc1ccc(C(C)C)c(OCC(O)CNC2CCCC2)c1.Cl.
What is the InChIKey of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is QJGNZTQRNUNRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-13(2)17-9-8-14(3)10-18(17)21-12-16(20)11-19-15-6-4-5-7-15;/h8-10,13,15-16,19-20H,4-7,11-12H2,1-3H3;1H.
What are the key properties of 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride?
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 2969124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).