4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol

C17H26N2O — CID 60857322

IUPAC4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCC(NCC1CCN(C2CC2)C1)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O/c1-2-17(14-3-7-16(20)8-4-14)18-11-13-9-10-19(12-13)15-5-6-15/h3-4,7-8,13,15,17-18,20H,2,5-6,9-12H2,1H3
InChIKeyFTNSXDRZSAFIER-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.92
Rot. Bonds6

About 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol

4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol (PubChem CID 60857322) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
PubChem CID60857322
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
SMILESCCC(NCC1CCN(C2CC2)C1)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O/c1-2-17(14-3-7-16(20)8-4-14)18-11-13-9-10-19(12-13)15-5-6-15/h3-4,7-8,13,15,17-18,20H,2,5-6,9-12H2,1H3
InChIKeyFTNSXDRZSAFIER-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

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Related Compounds

2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
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
1-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 60856973
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
4-[1-[(2-methylcyclohexyl)methylamino]propyl]phenol
CID 55013566
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61208115
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 82993503
4-[1-(thian-2-ylmethylamino)propyl]phenol
CID 80601142

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol (CID 60857322) is 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol is CCC(NCC1CCN(C2CC2)C1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
The InChIKey is FTNSXDRZSAFIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-17(14-3-7-16(20)8-4-14)18-11-13-9-10-19(12-13)15-5-6-15/h3-4,7-8,13,15,17-18,20H,2,5-6,9-12H2,1H3.
What are the key properties of 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol?
4-[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 4-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol is sourced from PubChem (CID 60857322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).