cumene;pyrrolidin-2-ylmethanol

C14H23NO — CID 142237933

IUPACcumene;pyrrolidin-2-ylmethanol
SMILESCC(C)c1ccccc1.OCC1CCCN1
InChIInChI=1S/C9H12.C5H11NO/c1-8(2)9-6-4-3-5-7-9;7-4-5-2-1-3-6-5/h3-8H,1-2H3;5-7H,1-4H2
InChIKeyGAQVEACQYQPHKK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.54
Rot. Bonds2

About cumene;pyrrolidin-2-ylmethanol

cumene;pyrrolidin-2-ylmethanol (PubChem CID 142237933) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is cumene;pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Namecumene;pyrrolidin-2-ylmethanol
PubChem CID142237933
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Namecumene;pyrrolidin-2-ylmethanol
SMILESCC(C)c1ccccc1.OCC1CCCN1
InChIInChI=1S/C9H12.C5H11NO/c1-8(2)9-6-4-3-5-7-9;7-4-5-2-1-3-6-5/h3-8H,1-2H3;5-7H,1-4H2
InChIKeyGAQVEACQYQPHKK-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79540027
cumene;4-methylpiperidine
CID 158684278
2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606795
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770

Frequently Asked Questions

What is the IUPAC name of cumene;pyrrolidin-2-ylmethanol?
The IUPAC name of cumene;pyrrolidin-2-ylmethanol (CID 142237933) is cumene;pyrrolidin-2-ylmethanol.
What is the SMILES notation for cumene;pyrrolidin-2-ylmethanol?
The canonical SMILES for cumene;pyrrolidin-2-ylmethanol is CC(C)c1ccccc1.OCC1CCCN1.
What is the InChIKey of cumene;pyrrolidin-2-ylmethanol?
The InChIKey is GAQVEACQYQPHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H11NO/c1-8(2)9-6-4-3-5-7-9;7-4-5-2-1-3-6-5/h3-8H,1-2H3;5-7H,1-4H2.
What are the key properties of cumene;pyrrolidin-2-ylmethanol?
cumene;pyrrolidin-2-ylmethanol has a molecular weight of 221.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;pyrrolidin-2-ylmethanol is sourced from PubChem (CID 142237933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).