[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol

C11H14Cl2N2O — CID 117012267

IUPAC[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol
SMILESNC1(CO)CCN(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H14Cl2N2O/c12-8-1-2-9(13)10(5-8)15-4-3-11(14,6-15)7-16/h1-2,5,16H,3-4,6-7,14H2
InChIKeyVMHKSEIFHGHPBZ-UHFFFAOYSA-N
MW261.15 g/mol
LogP1.89
Rot. Bonds2

About [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol

[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 117012267) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol
PubChem CID117012267
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol
SMILESNC1(CO)CCN(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H14Cl2N2O/c12-8-1-2-9(13)10(5-8)15-4-3-11(14,6-15)7-16/h1-2,5,16H,3-4,6-7,14H2
InChIKeyVMHKSEIFHGHPBZ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
CID 115025843
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine
CID 64924867
3-amino-1-(5-chloro-2-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 107325093
1-(2,5-dichlorophenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64945535
1-(2-carbamoyl-4-chlorophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147105
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
CID 64924869
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
CID 114845752
[3-amino-1-(2-propan-2-yloxyphenyl)piperidin-3-yl]methanol
CID 117012551

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol (CID 117012267) is [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol is NC1(CO)CCN(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is VMHKSEIFHGHPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-8-1-2-9(13)10(5-8)15-4-3-11(14,6-15)7-16/h1-2,5,16H,3-4,6-7,14H2.
What are the key properties of [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol?
[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 261.15 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).