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

C14H18BrClFNO — CID 106764925

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2ccc(Br)c(Cl)c2F)C1C
InChIInChI=1S/C14H18BrClFNO/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)12(16)13(9)17/h4-8,11,14H,18H2,1-3H3
InChIKeyOIRGRWZJOJFTAX-UHFFFAOYSA-N
MW350.66 g/mol
LogP4.30
Rot. Bonds2

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

(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 106764925) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID106764925
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)c2ccc(Br)c(Cl)c2F)C1C
InChIInChI=1S/C14H18BrClFNO/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)12(16)13(9)17/h4-8,11,14H,18H2,1-3H3
InChIKeyOIRGRWZJOJFTAX-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine 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-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764578
7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106764465
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156692
(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191802
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 106762503
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 106274426
(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 105399546
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
CID 106765455
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106764407

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 106764925) is (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)c2ccc(Br)c(Cl)c2F)C1C.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is OIRGRWZJOJFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)12(16)13(9)17/h4-8,11,14H,18H2,1-3H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 350.66 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 106764925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).