1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine

C15H23BrFN — CID 114906644

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFN/c1-4-18-15(7-5-6-11(2)3)13-9-8-12(16)10-14(13)17/h8-11,15,18H,4-7H2,1-3H3
InChIKeyLPARHHGOCKYWPI-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.07
Rot. Bonds7

About 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine

1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 114906644) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID114906644
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFN/c1-4-18-15(7-5-6-11(2)3)13-9-8-12(16)10-14(13)17/h8-11,15,18H,4-7H2,1-3H3
InChIKeyLPARHHGOCKYWPI-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349
2-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-3-amine
CID 82972669
1-(5-bromo-2-fluorophenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 114894962
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
1-(4-bromo-3-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028649
1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine (CID 114906644) is 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is LPARHHGOCKYWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-18-15(7-5-6-11(2)3)13-9-8-12(16)10-14(13)17/h8-11,15,18H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine?
1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 114906644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).