2-[(3-propylpyrrolidin-1-yl)methyl]phenol

C14H21NO — CID 115970486

IUPAC2-[(3-propylpyrrolidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2ccccc2O)C1
InChIInChI=1S/C14H21NO/c1-2-5-12-8-9-15(10-12)11-13-6-3-4-7-14(13)16/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyDMKVIVAKPUNILJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3-propylpyrrolidin-1-yl)methyl]phenol

2-[(3-propylpyrrolidin-1-yl)methyl]phenol (PubChem CID 115970486) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(3-propylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-propylpyrrolidin-1-yl)methyl]phenol
PubChem CID115970486
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(3-propylpyrrolidin-1-yl)methyl]phenol
SMILESCCCC1CCN(Cc2ccccc2O)C1
InChIInChI=1S/C14H21NO/c1-2-5-12-8-9-15(10-12)11-13-6-3-4-7-14(13)16/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyDMKVIVAKPUNILJ-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
1-benzyl-3-propylpyrrolidine
CID 12648211
6-[(3-propylpyrrolidin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 112695840
[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 113356734
2-[2-(1-ethylpiperidin-4-yl)ethyl]phenol
CID 70831004
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
3-bromo-4-[(3-propylpyrrolidin-1-yl)methyl]benzoic acid
CID 102768108
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
N-methyl-2-nitro-6-[(3-propylpyrrolidin-1-yl)methyl]aniline
CID 107351546
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-[(3-propylpyrrolidin-1-yl)methyl]phenol (CID 115970486) is 2-[(3-propylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-[(3-propylpyrrolidin-1-yl)methyl]phenol is CCCC1CCN(Cc2ccccc2O)C1.
What is the InChIKey of 2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is DMKVIVAKPUNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-5-12-8-9-15(10-12)11-13-6-3-4-7-14(13)16/h3-4,6-7,12,16H,2,5,8-11H2,1H3.
What are the key properties of 2-[(3-propylpyrrolidin-1-yl)methyl]phenol?
2-[(3-propylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 115970486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).