(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol

C15H23NO — CID 64866398

IUPAC(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol
SMILESCCc1ccc(CC)c(C(O)C2CCCN2)c1
InChIInChI=1S/C15H23NO/c1-3-11-7-8-12(4-2)13(10-11)15(17)14-6-5-9-16-14/h7-8,10,14-17H,3-6,9H2,1-2H3
InChIKeyTUUZDFVKJWTZRZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.60
Rot. Bonds4

About (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol

(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol (PubChem CID 64866398) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol
PubChem CID64866398
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol
SMILESCCc1ccc(CC)c(C(O)C2CCCN2)c1
InChIInChI=1S/C15H23NO/c1-3-11-7-8-12(4-2)13(10-11)15(17)14-6-5-9-16-14/h7-8,10,14-17H,3-6,9H2,1-2H3
InChIKeyTUUZDFVKJWTZRZ-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-diethylphenyl)-piperidin-2-ylmethanol
CID 64866605
(2,5-diethylphenyl)-(1,1-dioxothian-2-yl)methanol
CID 104521199
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(3-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135
(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
CID 130713187
2-(1-bromo-2-cyclopropylpropyl)-1,4-diethylbenzene
CID 83149719
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol (CID 64866398) is (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol is CCc1ccc(CC)c(C(O)C2CCCN2)c1.
What is the InChIKey of (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol?
The InChIKey is TUUZDFVKJWTZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-11-7-8-12(4-2)13(10-11)15(17)14-6-5-9-16-14/h7-8,10,14-17H,3-6,9H2,1-2H3.
What are the key properties of (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol?
(2,5-diethylphenyl)-pyrrolidin-2-ylmethanol has a molecular weight of 233.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylphenyl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 64866398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).