4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine

C14H21N3O — CID 63676263

IUPAC4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCN(C3CC3)C2)ccc1N
InChIInChI=1S/C14H21N3O/c1-18-14-8-10(2-5-13(14)15)16-11-6-7-17(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9,15H2,1H3
InChIKeyABKZDCAGTAICOD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.93
Rot. Bonds4

About 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine

4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine (PubChem CID 63676263) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
PubChem CID63676263
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCN(C3CC3)C2)ccc1N
InChIInChI=1S/C14H21N3O/c1-18-14-8-10(2-5-13(14)15)16-11-6-7-17(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9,15H2,1H3
InChIKeyABKZDCAGTAICOD-UHFFFAOYSA-N
XLogP1.93
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine (CID 63676263) is 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine is COc1cc(NC2CCN(C3CC3)C2)ccc1N.
What is the InChIKey of 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine?
The InChIKey is ABKZDCAGTAICOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-14-8-10(2-5-13(14)15)16-11-6-7-17(9-11)12-3-4-12/h2,5,8,11-12,16H,3-4,6-7,9,15H2,1H3.
What are the key properties of 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine?
4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine has a molecular weight of 247.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 63676263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).