2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol

C19H31NO — CID 115648006

IUPAC2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CCC(CCO)C1
InChIInChI=1S/C19H31NO/c1-14-10-17(19(3,4)5)11-15(2)18(14)13-20-8-6-16(12-20)7-9-21/h10-11,16,21H,6-9,12-13H2,1-5H3
InChIKeyOLQWMIIHCKDWPI-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.81
Rot. Bonds4

About 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648006) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115648006
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN1CCC(CCO)C1
InChIInChI=1S/C19H31NO/c1-14-10-17(19(3,4)5)11-15(2)18(14)13-20-8-6-16(12-20)7-9-21/h10-11,16,21H,6-9,12-13H2,1-5H3
InChIKeyOLQWMIIHCKDWPI-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-methylpiperidin-4-amine
CID 79874630
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]piperidine-4-carbaldehyde
CID 62655377
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
CID 114800052
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
2-[1-[[4-amino-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797152
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114799759

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol (CID 115648006) is 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol is Cc1cc(C(C)(C)C)cc(C)c1CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is OLQWMIIHCKDWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-10-17(19(3,4)5)11-15(2)18(14)13-20-8-6-16(12-20)7-9-21/h10-11,16,21H,6-9,12-13H2,1-5H3.
What are the key properties of 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 289.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).