(3-amino-1-benzylpyrrolidin-3-yl)methanol

C12H18N2O — CID 11074561

IUPAC(3-amino-1-benzylpyrrolidin-3-yl)methanol
SMILESNC1(CO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2O/c13-12(10-15)6-7-14(9-12)8-11-4-2-1-3-5-11/h1-5,15H,6-10,13H2
InChIKeyJTBHAUAMGKMSLU-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.58
Rot. Bonds3

About (3-amino-1-benzylpyrrolidin-3-yl)methanol

(3-amino-1-benzylpyrrolidin-3-yl)methanol (PubChem CID 11074561) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3-amino-1-benzylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-amino-1-benzylpyrrolidin-3-yl)methanol
PubChem CID11074561
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3-amino-1-benzylpyrrolidin-3-yl)methanol
SMILESNC1(CO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H18N2O/c13-12(10-15)6-7-14(9-12)8-11-4-2-1-3-5-11/h1-5,15H,6-10,13H2
InChIKeyJTBHAUAMGKMSLU-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-amino-1-benzylpyrrolidin-3-yl)methanol (CID 11074561) is (3-amino-1-benzylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-amino-1-benzylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-amino-1-benzylpyrrolidin-3-yl)methanol is NC1(CO)CCN(Cc2ccccc2)C1.
What is the InChIKey of (3-amino-1-benzylpyrrolidin-3-yl)methanol?
The InChIKey is JTBHAUAMGKMSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(10-15)6-7-14(9-12)8-11-4-2-1-3-5-11/h1-5,15H,6-10,13H2.
What are the key properties of (3-amino-1-benzylpyrrolidin-3-yl)methanol?
(3-amino-1-benzylpyrrolidin-3-yl)methanol has a molecular weight of 206.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 11074561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).