2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine

C15H25N3O — CID 63676271

IUPAC2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCC2CCN(C(C)C)C2)ccc1N
InChIInChI=1S/C15H25N3O/c1-11(2)18-7-6-12(10-18)9-17-13-4-5-14(16)15(8-13)19-3/h4-5,8,11-12,17H,6-7,9-10,16H2,1-3H3
InChIKeyCUEPRRKHSRHXET-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds5

About 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine

2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine (PubChem CID 63676271) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
PubChem CID63676271
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCC2CCN(C(C)C)C2)ccc1N
InChIInChI=1S/C15H25N3O/c1-11(2)18-7-6-12(10-18)9-17-13-4-5-14(16)15(8-13)19-3/h4-5,8,11-12,17H,6-7,9-10,16H2,1-3H3
InChIKeyCUEPRRKHSRHXET-UHFFFAOYSA-N
XLogP2.42
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
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 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine (CID 63676271) is 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine is COc1cc(NCC2CCN(C(C)C)C2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine?
The InChIKey is CUEPRRKHSRHXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-7-6-12(10-18)9-17-13-4-5-14(16)15(8-13)19-3/h4-5,8,11-12,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine?
2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine has a molecular weight of 263.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63676271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).