1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C15H20BrClFNO — CID 106764578

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(Br)c(Cl)c1F)C1C(C)OC(C)C1C
InChIInChI=1S/C15H20BrClFNO/c1-7-8(2)20-9(3)12(7)15(19-4)10-5-6-11(16)13(17)14(10)18/h5-9,12,15,19H,1-4H3
InChIKeyIKPSNCKLFWERLI-UHFFFAOYSA-N
MW364.69 g/mol
LogP4.56
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 106764578) has the molecular formula C15H20BrClFNO and a molecular weight of 364.69 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID106764578
Molecular FormulaC15H20BrClFNO
Molecular Weight364.69 g/mol
Exact Mass363.04
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(Br)c(Cl)c1F)C1C(C)OC(C)C1C
InChIInChI=1S/C15H20BrClFNO/c1-7-8(2)20-9(3)12(7)15(19-4)10-5-6-11(16)13(17)14(10)18/h5-9,12,15,19H,1-4H3
InChIKeyIKPSNCKLFWERLI-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.69
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764925
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
1-(2-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115800984
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154515
1-(4-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154809
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 106762881
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 80530880
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2,3-trimethylbutan-1-amine
CID 106764622
[(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 106765562
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methylheptan-1-amine
CID 106764947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 106764578) is 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1ccc(Br)c(Cl)c1F)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is IKPSNCKLFWERLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClFNO/c1-7-8(2)20-9(3)12(7)15(19-4)10-5-6-11(16)13(17)14(10)18/h5-9,12,15,19H,1-4H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 364.69 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 106764578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).