(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine

C14H20BrNO3 — CID 99640543

IUPAC(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
SMILESCOC(CN1CCO[C@@H](c2cccc(Br)c2)C1)OC
InChIInChI=1S/C14H20BrNO3/c1-17-14(18-2)10-16-6-7-19-13(9-16)11-4-3-5-12(15)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeySUUMPJASDHKLEZ-CYBMUJFWSA-N
MW330.22 g/mol
LogP2.44
Rot. Bonds5

About (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine

(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine (PubChem CID 99640543) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
PubChem CID99640543
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
SMILESCOC(CN1CCO[C@@H](c2cccc(Br)c2)C1)OC
InChIInChI=1S/C14H20BrNO3/c1-17-14(18-2)10-16-6-7-19-13(9-16)11-4-3-5-12(15)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3/t13-/m1/s1
InChIKeySUUMPJASDHKLEZ-CYBMUJFWSA-N
XLogP2.44
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
methyl (2S)-3-[(2R)-2-(3-bromophenyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoate
CID 97317840
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol
CID 138959998
2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60609355
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine
CID 60609509
2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide
CID 47090002
2-(3-bromophenyl)-4-methylsulfonylmorpholine
CID 110364445
4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine?
The IUPAC name of (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine (CID 99640543) is (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine?
The canonical SMILES for (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine is COC(CN1CCO[C@@H](c2cccc(Br)c2)C1)OC.
What is the InChIKey of (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine?
The InChIKey is SUUMPJASDHKLEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-17-14(18-2)10-16-6-7-19-13(9-16)11-4-3-5-12(15)8-11/h3-5,8,13-14H,6-7,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine?
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine has a molecular weight of 330.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine is sourced from PubChem (CID 99640543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).