3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol

C14H22N2O — CID 63301041

IUPAC3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCCCN(Cc1cccc(O)c1)C1CCNC1
InChIInChI=1S/C14H22N2O/c1-2-8-16(13-6-7-15-10-13)11-12-4-3-5-14(17)9-12/h3-5,9,13,15,17H,2,6-8,10-11H2,1H3
InChIKeyMZFWAEKCUYYTLC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.97
Rot. Bonds5

About 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol

3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 63301041) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
PubChem CID63301041
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCCCN(Cc1cccc(O)c1)C1CCNC1
InChIInChI=1S/C14H22N2O/c1-2-8-16(13-6-7-15-10-13)11-12-4-3-5-14(17)9-12/h3-5,9,13,15,17H,2,6-8,10-11H2,1H3
InChIKeyMZFWAEKCUYYTLC-UHFFFAOYSA-N
XLogP1.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293

Frequently Asked Questions

What is the IUPAC name of 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol (CID 63301041) is 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol is CCCN(Cc1cccc(O)c1)C1CCNC1.
What is the InChIKey of 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is MZFWAEKCUYYTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-8-16(13-6-7-15-10-13)11-12-4-3-5-14(17)9-12/h3-5,9,13,15,17H,2,6-8,10-11H2,1H3.
What are the key properties of 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol?
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 63301041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).