N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine

C16H23BrFN — CID 66425051

IUPACN-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(Br)c1)C1CCC(C)CC1
InChIInChI=1S/C16H23BrFN/c1-3-19-16(12-6-4-11(2)5-7-12)13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3
InChIKeyYSDFEBKPJFEMPF-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.07
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 66425051) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID66425051
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(Br)c1)C1CCC(C)CC1
InChIInChI=1S/C16H23BrFN/c1-3-19-16(12-6-4-11(2)5-7-12)13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3
InChIKeyYSDFEBKPJFEMPF-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 64776273
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 66424249
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 66424651
[(3-bromo-5-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105238562
[(3-bromo-5-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105238751
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998273
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine (CID 66425051) is N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc(F)cc(Br)c1)C1CCC(C)CC1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is YSDFEBKPJFEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-3-19-16(12-6-4-11(2)5-7-12)13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 328.27 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 66425051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).