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

C15H23BrFNO — CID 116757954

IUPAC1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(Br)c1)C(C)(CC)OC
InChIInChI=1S/C15H23BrFNO/c1-5-15(3,19-4)14(18-6-2)10-11-7-8-13(17)12(16)9-11/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyKMVWRXJMFNZJPM-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.92
Rot. Bonds7

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

1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine (PubChem CID 116757954) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
PubChem CID116757954
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)c(Br)c1)C(C)(CC)OC
InChIInChI=1S/C15H23BrFNO/c1-5-15(3,19-4)14(18-6-2)10-11-7-8-13(17)12(16)9-11/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyKMVWRXJMFNZJPM-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063157
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115818488
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757961
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113391425
1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759063
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
1-(3-bromo-4-fluorophenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027437
3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 63401426
1-(3-bromo-4-fluorophenyl)-3-ethyl-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062520
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine (CID 116757954) is 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine is CCNC(Cc1ccc(F)c(Br)c1)C(C)(CC)OC.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The InChIKey is KMVWRXJMFNZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-5-15(3,19-4)14(18-6-2)10-11-7-8-13(17)12(16)9-11/h7-9,14,18H,5-6,10H2,1-4H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine has a molecular weight of 332.26 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116757954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).