(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine

C12H16BrNO — CID 86321723

IUPAC(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
SMILESBrc1cccc(COC[C@H]2CCNC2)c1
InChIInChI=1S/C12H16BrNO/c13-12-3-1-2-10(6-12)8-15-9-11-4-5-14-7-11/h1-3,6,11,14H,4-5,7-9H2/t11-/m0/s1
InChIKeySFMKIJQGXLNWNJ-NSHDSACASA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds4

About (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine

(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine (PubChem CID 86321723) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
PubChem CID86321723
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
SMILESBrc1cccc(COC[C@H]2CCNC2)c1
InChIInChI=1S/C12H16BrNO/c13-12-3-1-2-10(6-12)8-15-9-11-4-5-14-7-11/h1-3,6,11,14H,4-5,7-9H2/t11-/m0/s1
InChIKeySFMKIJQGXLNWNJ-NSHDSACASA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine
CID 107391807
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
CID 86321771
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine (CID 86321723) is (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine is Brc1cccc(COC[C@H]2CCNC2)c1.
What is the InChIKey of (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine?
The InChIKey is SFMKIJQGXLNWNJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H16BrNO/c13-12-3-1-2-10(6-12)8-15-9-11-4-5-14-7-11/h1-3,6,11,14H,4-5,7-9H2/t11-/m0/s1.
What are the key properties of (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine?
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 86321723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).