1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

C15H23BrFNO — CID 116720241

IUPAC1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)C(OC)C(C)C
InChIInChI=1S/C15H23BrFNO/c1-5-18-13(15(19-4)10(2)3)9-11-7-6-8-12(17)14(11)16/h6-8,10,13,15,18H,5,9H2,1-4H3
InChIKeyYIGFZFAGHBELRE-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.78
Rot. Bonds7

About 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (PubChem CID 116720241) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
PubChem CID116720241
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)C(OC)C(C)C
InChIInChI=1S/C15H23BrFNO/c1-5-18-13(15(19-4)10(2)3)9-11-7-6-8-12(17)14(11)16/h6-8,10,13,15,18H,5,9H2,1-4H3
InChIKeyYIGFZFAGHBELRE-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 105020510
1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760116
3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772577
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 105020425

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (CID 116720241) is 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is CCNC(Cc1cccc(F)c1Br)C(OC)C(C)C.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The InChIKey is YIGFZFAGHBELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-18-13(15(19-4)10(2)3)9-11-7-6-8-12(17)14(11)16/h6-8,10,13,15,18H,5,9H2,1-4H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.78, 7 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)-N-ethyl-3-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116720241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).