(3R)-3-(4-bromophenyl)pyrrolidin-3-amine

C10H13BrN2 — CID 125492002

IUPAC(3R)-3-(4-bromophenyl)pyrrolidin-3-amine
SMILESN[C@@]1(c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-8(2-4-9)10(12)5-6-13-7-10/h1-4,13H,5-7,12H2/t10-/m0/s1
InChIKeyVKWLCFQDOOUHKT-JTQLQIEISA-N
MW241.13 g/mol
LogP1.60
Rot. Bonds1

About (3R)-3-(4-bromophenyl)pyrrolidin-3-amine

(3R)-3-(4-bromophenyl)pyrrolidin-3-amine (PubChem CID 125492002) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)pyrrolidin-3-amine
PubChem CID125492002
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name(3R)-3-(4-bromophenyl)pyrrolidin-3-amine
SMILESN[C@@]1(c2ccc(Br)cc2)CCNC1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-8(2-4-9)10(12)5-6-13-7-10/h1-4,13H,5-7,12H2/t10-/m0/s1
InChIKeyVKWLCFQDOOUHKT-JTQLQIEISA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-3-(4-bromophenyl)pyrrolidin-3-amine (CID 125492002) is (3R)-3-(4-bromophenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-3-(4-bromophenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-3-(4-bromophenyl)pyrrolidin-3-amine is N[C@@]1(c2ccc(Br)cc2)CCNC1.
What is the InChIKey of (3R)-3-(4-bromophenyl)pyrrolidin-3-amine?
The InChIKey is VKWLCFQDOOUHKT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-3-1-8(2-4-9)10(12)5-6-13-7-10/h1-4,13H,5-7,12H2/t10-/m0/s1.
What are the key properties of (3R)-3-(4-bromophenyl)pyrrolidin-3-amine?
(3R)-3-(4-bromophenyl)pyrrolidin-3-amine has a molecular weight of 241.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 125492002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).