1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

C15H21BrF2N2O — CID 106942723

IUPAC1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCNC(c1c(F)ccc(Br)c1F)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H21BrF2N2O/c1-15(2,20-6-8-21-9-7-20)14(19-3)12-11(17)5-4-10(16)13(12)18/h4-5,14,19H,6-9H2,1-3H3
InChIKeyIMQOPOHHVCTKSO-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.10
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine

1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 106942723) has the molecular formula C15H21BrF2N2O and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
PubChem CID106942723
Molecular FormulaC15H21BrF2N2O
Molecular Weight363.25 g/mol
Exact Mass362.08
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
SMILESCNC(c1c(F)ccc(Br)c1F)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H21BrF2N2O/c1-15(2,20-6-8-21-9-7-20)14(19-3)12-11(17)5-4-10(16)13(12)18/h4-5,14,19H,6-9H2,1-3H3
InChIKeyIMQOPOHHVCTKSO-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 106267860
N,2-dimethyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79050725
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051927
1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 106942725
1-(5-fluoro-2-methoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 82771720
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
N,2-dimethyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 79056816
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 106762078
1-(5-bromo-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79739404
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79051461
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 106942771
[1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239829

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine (CID 106942723) is 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is CNC(c1c(F)ccc(Br)c1F)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is IMQOPOHHVCTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2O/c1-15(2,20-6-8-21-9-7-20)14(19-3)12-11(17)5-4-10(16)13(12)18/h4-5,14,19H,6-9H2,1-3H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine?
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 363.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 106942723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).