[1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol

C11H14Cl2N2O — CID 106890701

IUPAC[1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol
SMILESNc1cc(Cl)c(N2CCC(CO)C2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c12-9-3-8(14)4-10(13)11(9)15-2-1-7(5-15)6-16/h3-4,7,16H,1-2,5-6,14H2
InChIKeyNIZYVWLABJXOQA-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.39
Rot. Bonds2

About [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol

[1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 106890701) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol
PubChem CID106890701
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name[1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol
SMILESNc1cc(Cl)c(N2CCC(CO)C2)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c12-9-3-8(14)4-10(13)11(9)15-2-1-7(5-15)6-16/h3-4,7,16H,1-2,5-6,14H2
InChIKeyNIZYVWLABJXOQA-UHFFFAOYSA-N
XLogP2.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol (CID 106890701) is [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol is Nc1cc(Cl)c(N2CCC(CO)C2)c(Cl)c1.
What is the InChIKey of [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is NIZYVWLABJXOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-9-3-8(14)4-10(13)11(9)15-2-1-7(5-15)6-16/h3-4,7,16H,1-2,5-6,14H2.
What are the key properties of [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol?
[1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 261.15 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-2,6-dichlorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 106890701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).