methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate

C16H22BrNO3 — CID 91653639

IUPACmethyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
SMILESCOC(=O)CCCCN1CCOC(c2ccccc2Br)C1
InChIInChI=1S/C16H22BrNO3/c1-20-16(19)8-4-5-9-18-10-11-21-15(12-18)13-6-2-3-7-14(13)17/h2-3,6-7,15H,4-5,8-12H2,1H3
InChIKeyYDJUXPVKMUZAQL-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.17
Rot. Bonds6

About methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate

methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate (PubChem CID 91653639) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
PubChem CID91653639
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Namemethyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
SMILESCOC(=O)CCCCN1CCOC(c2ccccc2Br)C1
InChIInChI=1S/C16H22BrNO3/c1-20-16(19)8-4-5-9-18-10-11-21-15(12-18)13-6-2-3-7-14(13)17/h2-3,6-7,15H,4-5,8-12H2,1H3
InChIKeyYDJUXPVKMUZAQL-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
CID 56871644
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
methyl 4-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]butanoate
CID 163312715
3-[2-(2-methylphenyl)morpholin-4-yl]propan-1-ol
CID 111462348
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
CID 95313388
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
CID 99833548

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate?
The IUPAC name of methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate (CID 91653639) is methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate.
What is the SMILES notation for methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate?
The canonical SMILES for methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate is COC(=O)CCCCN1CCOC(c2ccccc2Br)C1.
What is the InChIKey of methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate?
The InChIKey is YDJUXPVKMUZAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-20-16(19)8-4-5-9-18-10-11-21-15(12-18)13-6-2-3-7-14(13)17/h2-3,6-7,15H,4-5,8-12H2,1H3.
What are the key properties of methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate?
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate has a molecular weight of 356.26 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate is sourced from PubChem (CID 91653639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).