N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine

C17H25BrFN — CID 114895057

IUPACN-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C17H25BrFN/c1-2-10-20-17(11-13-6-4-3-5-7-13)15-12-14(18)8-9-16(15)19/h8-9,12-13,17,20H,2-7,10-11H2,1H3
InChIKeyWMYMYVISBQYLQW-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.60
Rot. Bonds6

About N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine

N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine (PubChem CID 114895057) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
PubChem CID114895057
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C17H25BrFN/c1-2-10-20-17(11-13-6-4-3-5-7-13)15-12-14(18)8-9-16(15)19/h8-9,12-13,17,20H,2-7,10-11H2,1H3
InChIKeyWMYMYVISBQYLQW-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987477
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine (CID 114895057) is N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine is CCCNC(CC1CCCCC1)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine?
The InChIKey is WMYMYVISBQYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-2-10-20-17(11-13-6-4-3-5-7-13)15-12-14(18)8-9-16(15)19/h8-9,12-13,17,20H,2-7,10-11H2,1H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine?
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine has a molecular weight of 342.30 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 114895057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).