(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine

C11H15BrN2 — CID 69346862

IUPAC(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@@H](N)[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2/c1-14-6-10(11(13)7-14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11+/m0/s1
InChIKeyZXZNNPQNRBYAMI-WDEREUQCSA-N
MW255.16 g/mol
LogP1.81
Rot. Bonds1

About (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine

(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 69346862) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
PubChem CID69346862
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1C[C@@H](N)[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C11H15BrN2/c1-14-6-10(11(13)7-14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11+/m0/s1
InChIKeyZXZNNPQNRBYAMI-WDEREUQCSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine (CID 69346862) is (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine is CN1C[C@@H](N)[C@H](c2ccc(Br)cc2)C1.
What is the InChIKey of (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is ZXZNNPQNRBYAMI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-14-6-10(11(13)7-14)8-2-4-9(12)5-3-8/h2-5,10-11H,6-7,13H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine?
(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 255.16 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 69346862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).