1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine

C16H25BrFNO — CID 116717956

IUPAC1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(Br)cc1F)NCC
InChIInChI=1S/C16H25BrFNO/c1-4-7-16(20-6-3)15(19-5-2)10-12-8-9-13(17)11-14(12)18/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyIGWCQIRLWZZVSB-UHFFFAOYSA-N
MW346.28 g/mol
LogP4.31
Rot. Bonds9

About 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine

1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine (PubChem CID 116717956) has the molecular formula C16H25BrFNO and a molecular weight of 346.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
PubChem CID116717956
Molecular FormulaC16H25BrFNO
Molecular Weight346.28 g/mol
Exact Mass345.11
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
SMILESCCCC(OCC)C(Cc1ccc(Br)cc1F)NCC
InChIInChI=1S/C16H25BrFNO/c1-4-7-16(20-6-3)15(19-5-2)10-12-8-9-13(17)11-14(12)18/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyIGWCQIRLWZZVSB-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-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-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535624
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
3-(2,4-difluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496290
1-(4-bromo-2-fluorophenyl)-N-ethylnonan-2-amine
CID 115844761
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728
3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine (CID 116717956) is 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine is CCCC(OCC)C(Cc1ccc(Br)cc1F)NCC.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
The InChIKey is IGWCQIRLWZZVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFNO/c1-4-7-16(20-6-3)15(19-5-2)10-12-8-9-13(17)11-14(12)18/h8-9,11,15-16,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine?
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine has a molecular weight of 346.28 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine is sourced from PubChem (CID 116717956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).