2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol

C17H26N2O — CID 60856155

IUPAC2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCC(NCC1CCN(C2CC2)C1)c1ccccc1O
InChIInChI=1S/C17H26N2O/c1-2-16(15-5-3-4-6-17(15)20)18-11-13-9-10-19(12-13)14-7-8-14/h3-6,13-14,16,18,20H,2,7-12H2,1H3
InChIKeyJRAAACJKTCWZNW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol

2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol (PubChem CID 60856155) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
PubChem CID60856155
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCC(NCC1CCN(C2CC2)C1)c1ccccc1O
InChIInChI=1S/C17H26N2O/c1-2-16(15-5-3-4-6-17(15)20)18-11-13-9-10-19(12-13)14-7-8-14/h3-6,13-14,16,18,20H,2,7-12H2,1H3
InChIKeyJRAAACJKTCWZNW-UHFFFAOYSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60857322
1-[4-[[1-(2-hydroxyphenyl)propylamino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154753115
1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine
CID 60857454
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60855843
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
CID 103777374
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 71916218
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
The IUPAC name of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol (CID 60856155) is 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
The canonical SMILES for 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol is CCC(NCC1CCN(C2CC2)C1)c1ccccc1O.
What is the InChIKey of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
The InChIKey is JRAAACJKTCWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-16(15-5-3-4-6-17(15)20)18-11-13-9-10-19(12-13)14-7-8-14/h3-6,13-14,16,18,20H,2,7-12H2,1H3.
What are the key properties of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol has a molecular weight of 274.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol is sourced from PubChem (CID 60856155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).