(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine

C11H14BrClN2 — CID 119905432

IUPAC(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C11H14BrClN2/c12-11-5-9(13)2-1-8(11)6-15-4-3-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2/t10-/m1/s1
InChIKeyXIEISYNAIXNCJV-SNVBAGLBSA-N
MW289.60 g/mol
LogP2.64
Rot. Bonds2

About (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine

(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 119905432) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
PubChem CID119905432
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc(Cl)cc2Br)C1
InChIInChI=1S/C11H14BrClN2/c12-11-5-9(13)2-1-8(11)6-15-4-3-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2/t10-/m1/s1
InChIKeyXIEISYNAIXNCJV-SNVBAGLBSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol
CID 104931669
1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465
1-[(5-chloro-2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917489
(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 171624938
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119917695
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine (CID 119905432) is (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2ccc(Cl)cc2Br)C1.
What is the InChIKey of (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is XIEISYNAIXNCJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrClN2/c12-11-5-9(13)2-1-8(11)6-15-4-3-10(14)7-15/h1-2,5,10H,3-4,6-7,14H2/t10-/m1/s1.
What are the key properties of (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 289.60 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 119905432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).