4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine

C16H23BrN2O2 — CID 166094486

IUPAC4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine
SMILESCO[C@H]1CCN(Cc2cc(Br)ccc2N2CCOCC2)C1
InChIInChI=1S/C16H23BrN2O2/c1-20-15-4-5-18(12-15)11-13-10-14(17)2-3-16(13)19-6-8-21-9-7-19/h2-3,10,15H,4-9,11-12H2,1H3/t15-/m0/s1
InChIKeyKKYJMGKVRHNICJ-HNNXBMFYSA-N
MW355.28 g/mol
LogP2.51
Rot. Bonds4

About 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine

4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine (PubChem CID 166094486) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine
PubChem CID166094486
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine
SMILESCO[C@H]1CCN(Cc2cc(Br)ccc2N2CCOCC2)C1
InChIInChI=1S/C16H23BrN2O2/c1-20-15-4-5-18(12-15)11-13-10-14(17)2-3-16(13)19-6-8-21-9-7-19/h2-3,10,15H,4-9,11-12H2,1H3/t15-/m0/s1
InChIKeyKKYJMGKVRHNICJ-HNNXBMFYSA-N
XLogP2.51
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-bromo-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]morpholine
CID 166094141
1-[(5-bromo-2-methylphenyl)methyl]-3-methoxypyrrolidine
CID 172647857
(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine
CID 120833970
(3R)-1-[[4-bromo-2-(trifluoromethoxy)phenyl]methyl]-3-methoxypyrrolidine
CID 172647888
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
1-[(2-bromo-4-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647740
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305
[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 120844485
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647769
6-[3-amino-5-fluoro-6-[3-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-4-morpholin-4-ylphenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166092629
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647800
2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 63782212

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine (CID 166094486) is 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine is CO[C@H]1CCN(Cc2cc(Br)ccc2N2CCOCC2)C1.
What is the InChIKey of 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine?
The InChIKey is KKYJMGKVRHNICJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-20-15-4-5-18(12-15)11-13-10-14(17)2-3-16(13)19-6-8-21-9-7-19/h2-3,10,15H,4-9,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine?
4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine has a molecular weight of 355.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 166094486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).