1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

C15H23BrFNO — CID 105172212

IUPAC1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1cccc(F)c1Br
InChIInChI=1S/C15H23BrFNO/c1-4-8-18-13(10-19-11(2)3)9-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyFVDMXQFXCNFMBH-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.92
Rot. Bonds8

About 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 105172212) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID105172212
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1cccc(F)c1Br
InChIInChI=1S/C15H23BrFNO/c1-4-8-18-13(10-19-11(2)3)9-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyFVDMXQFXCNFMBH-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine 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

1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882
1-(2-bromo-3-fluorophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105172057
1-(2-bromo-3-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105172109
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 105020425
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (CID 105172212) is 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is FVDMXQFXCNFMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-4-8-18-13(10-19-11(2)3)9-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 105172212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).