N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine

C15H21BrFN — CID 79747514

IUPACN-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)C1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-2-18-15(11-6-4-3-5-7-11)12-8-9-14(17)13(16)10-12/h8-11,15,18H,2-7H2,1H3
InChIKeyHUEFTXRLIVKFAM-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds4

About N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine

N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine (PubChem CID 79747514) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
PubChem CID79747514
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)C1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-2-18-15(11-6-4-3-5-7-11)12-8-9-14(17)13(16)10-12/h8-11,15,18H,2-7H2,1H3
InChIKeyHUEFTXRLIVKFAM-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
[(3-bromo-4-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105264024
N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
CID 104658059
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine (CID 79747514) is N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine is CCNC(c1ccc(F)c(Br)c1)C1CCCCC1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine?
The InChIKey is HUEFTXRLIVKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-18-15(11-6-4-3-5-7-11)12-8-9-14(17)13(16)10-12/h8-11,15,18H,2-7H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine?
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine is sourced from PubChem (CID 79747514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).