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

C12H17BrN2O — CID 115301915

IUPAC(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CN2CC[C@@H](N)C2)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-16-12-3-2-9(6-11(12)13)7-15-5-4-10(14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m1/s1
InChIKeyLYUZRSBRZLNAAJ-SNVBAGLBSA-N
MW285.19 g/mol
LogP1.99
Rot. Bonds3

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

(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 115301915) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID115301915
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CN2CC[C@@H](N)C2)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-16-12-3-2-9(6-11(12)13)7-15-5-4-10(14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m1/s1
InChIKeyLYUZRSBRZLNAAJ-SNVBAGLBSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388236
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214
1-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropiperidine
CID 63389605
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(methoxymethyl)piperidine
CID 113235650
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360
1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 60969227
4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
4-(2-bromoethoxy)-1-[(3-bromo-4-methoxyphenyl)methyl]piperidine
CID 82691842
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine (CID 115301915) is (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine is COc1ccc(CN2CC[C@@H](N)C2)cc1Br.
What is the InChIKey of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is LYUZRSBRZLNAAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-16-12-3-2-9(6-11(12)13)7-15-5-4-10(14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 285.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115301915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).