(3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine

C12H15BrClNO — CID 172647846

IUPAC(3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C12H15BrClNO/c1-16-12-2-3-15(8-12)7-9-4-10(13)6-11(14)5-9/h4-6,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyRSFIKOJROXDZGP-GFCCVEGCSA-N
MW304.62 g/mol
LogP3.32
Rot. Bonds3

About (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine

(3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine (PubChem CID 172647846) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine
PubChem CID172647846
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name(3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)C1
InChIInChI=1S/C12H15BrClNO/c1-16-12-2-3-15(8-12)7-9-4-10(13)6-11(14)5-9/h4-6,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyRSFIKOJROXDZGP-GFCCVEGCSA-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 ≤ 500304.62
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-5-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647837
(3S)-1-[(3-bromo-5-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647839
(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine
CID 172647841
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
1-[(5-bromo-2-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647857
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-methoxypyrrolidine
CID 74239025
1-[[3-bromo-5-(trifluoromethoxy)phenyl]methyl]-4-methoxypiperidine
CID 172648439
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647800
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine?
The IUPAC name of (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine (CID 172647846) is (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine.
What is the SMILES notation for (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine?
The canonical SMILES for (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine is CO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2)C1.
What is the InChIKey of (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine?
The InChIKey is RSFIKOJROXDZGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-16-12-2-3-15(8-12)7-9-4-10(13)6-11(14)5-9/h4-6,12H,2-3,7-8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine?
(3R)-1-[(3-bromo-5-chlorophenyl)methyl]-3-methoxypyrrolidine has a molecular weight of 304.62 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-5-chlorophenyl)methyl]-3-methoxypyrrolidine is sourced from PubChem (CID 172647846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).