(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine

C12H15BrClNO — CID 172647800

IUPAC(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2cccc(Br)c2Cl)C1
InChIInChI=1S/C12H15BrClNO/c1-16-10-5-6-15(8-10)7-9-3-2-4-11(13)12(9)14/h2-4,10H,5-8H2,1H3/t10-/m1/s1
InChIKeyUUGLASZJFHTQJX-SNVBAGLBSA-N
MW304.61 g/mol
LogP3.32
Rot. Bonds3

About (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine

(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine (PubChem CID 172647800) has the molecular formula C12H15BrClNO and a molecular weight of 304.61 g/mol. Its IUPAC name is (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
PubChem CID172647800
Molecular FormulaC12H15BrClNO
Molecular Weight304.61 g/mol
Exact Mass303.00
IUPAC Name(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2cccc(Br)c2Cl)C1
InChIInChI=1S/C12H15BrClNO/c1-16-10-5-6-15(8-10)7-9-3-2-4-11(13)12(9)14/h2-4,10H,5-8H2,1H3/t10-/m1/s1
InChIKeyUUGLASZJFHTQJX-SNVBAGLBSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192
1-[(3-bromo-2-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647805
1-[(2-bromo-4-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647740
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine
CID 171782730
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647769
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
1-[(5-bromo-2-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647857
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine
CID 171396283
(7R,8aS)-2-[(3-bromo-2-chlorophenyl)methyl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 154853099
1-methanidyl-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,3-dihydro-1H-indol-1-ium
CID 166016894
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine?
The IUPAC name of (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine (CID 172647800) is (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine.
What is the SMILES notation for (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine?
The canonical SMILES for (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine is CO[C@@H]1CCN(Cc2cccc(Br)c2Cl)C1.
What is the InChIKey of (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine?
The InChIKey is UUGLASZJFHTQJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-16-10-5-6-15(8-10)7-9-3-2-4-11(13)12(9)14/h2-4,10H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine?
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine has a molecular weight of 304.61 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine is sourced from PubChem (CID 172647800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).