4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline

C15H22N2O — CID 103534653

IUPAC4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline
SMILESCOC1CCN(CC2(c3ccc(N)cc3)CC2)C1
InChIInChI=1S/C15H22N2O/c1-18-14-6-9-17(10-14)11-15(7-8-15)12-2-4-13(16)5-3-12/h2-5,14H,6-11,16H2,1H3
InChIKeyAMZHOFVHHOKPRI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.02
Rot. Bonds4

About 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline

4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline (PubChem CID 103534653) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline
PubChem CID103534653
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline
SMILESCOC1CCN(CC2(c3ccc(N)cc3)CC2)C1
InChIInChI=1S/C15H22N2O/c1-18-14-6-9-17(10-14)11-15(7-8-15)12-2-4-13(16)5-3-12/h2-5,14H,6-11,16H2,1H3
InChIKeyAMZHOFVHHOKPRI-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline (CID 103534653) is 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline is COC1CCN(CC2(c3ccc(N)cc3)CC2)C1.
What is the InChIKey of 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline?
The InChIKey is AMZHOFVHHOKPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-14-6-9-17(10-14)11-15(7-8-15)12-2-4-13(16)5-3-12/h2-5,14H,6-11,16H2,1H3.
What are the key properties of 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline?
4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline has a molecular weight of 246.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopropyl]aniline is sourced from PubChem (CID 103534653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).