ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol

C18H33NO — CID 176665263

IUPACethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol
SMILESCC.CC.Cc1ccc(C(C)C)cc1N1CCC(O)C1
InChIInChI=1S/C14H21NO.2C2H6/c1-10(2)12-5-4-11(3)14(8-12)15-7-6-13(16)9-15;2*1-2/h4-5,8,10,13,16H,6-7,9H2,1-3H3;2*1-2H3
InChIKeyUIVCNMGKFDMQIT-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.74
Rot. Bonds2

About ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol

ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol (PubChem CID 176665263) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol
PubChem CID176665263
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Nameethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol
SMILESCC.CC.Cc1ccc(C(C)C)cc1N1CCC(O)C1
InChIInChI=1S/C14H21NO.2C2H6/c1-10(2)12-5-4-11(3)14(8-12)15-7-6-13(16)9-15;2*1-2/h4-5,8,10,13,16H,6-7,9H2,1-3H3;2*1-2H3
InChIKeyUIVCNMGKFDMQIT-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 134251990
1-(2-methyl-5-propan-2-ylphenyl)-4-(2-methylpropyl)piperazine
CID 176933716
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
(3S)-1-(3-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104892823
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
(3R)-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 58851852
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
1-[4-amino-2-(difluoromethyl)phenyl]pyrrolidin-3-ol
CID 63736538
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol?
The IUPAC name of ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol (CID 176665263) is ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol?
The canonical SMILES for ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol is CC.CC.Cc1ccc(C(C)C)cc1N1CCC(O)C1.
What is the InChIKey of ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol?
The InChIKey is UIVCNMGKFDMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.2C2H6/c1-10(2)12-5-4-11(3)14(8-12)15-7-6-13(16)9-15;2*1-2/h4-5,8,10,13,16H,6-7,9H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol?
ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol has a molecular weight of 279.47 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 176665263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).