2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

C15H22BrNO2 — CID 116764666

IUPAC2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)C1(OC)CCOCC1
InChIInChI=1S/C15H22BrNO2/c1-17-14(11-12-4-3-5-13(16)10-12)15(18-2)6-8-19-9-7-15/h3-5,10,14,17H,6-9,11H2,1-2H3
InChIKeyHGARJILTUONKFU-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.78
Rot. Bonds5

About 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116764666) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
PubChem CID116764666
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)C1(OC)CCOCC1
InChIInChI=1S/C15H22BrNO2/c1-17-14(11-12-4-3-5-13(16)10-12)15(18-2)6-8-19-9-7-15/h3-5,10,14,17H,6-9,11H2,1-2H3
InChIKeyHGARJILTUONKFU-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine 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

2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764652
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764669
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (CID 116764666) is 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)C1(OC)CCOCC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is HGARJILTUONKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17-14(11-12-4-3-5-13(16)10-12)15(18-2)6-8-19-9-7-15/h3-5,10,14,17H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 328.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116764666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).