2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

C16H23BrFN — CID 63403844

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C16H23BrFN/c1-3-11-4-7-16(19-2)13(8-11)9-12-5-6-14(18)10-15(12)17/h5-6,10-11,13,16,19H,3-4,7-9H2,1-2H3
InChIKeyBRIBPEPILDOJFP-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.55
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 63403844) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID63403844
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2ccc(F)cc2Br)C1
InChIInChI=1S/C16H23BrFN/c1-3-11-4-7-16(19-2)13(8-11)9-12-5-6-14(18)10-15(12)17/h5-6,10-11,13,16,19H,3-4,7-9H2,1-2H3
InChIKeyBRIBPEPILDOJFP-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 55186350
2-bromo-1-[(2-bromo-5-propylcyclohexyl)methyl]-4-fluorobenzene
CID 63470892
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63460147
[2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233480
2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63401168
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527
N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline
CID 63493667
4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63403275
2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
CID 28939093
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028471

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 63403844) is 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(Cc2ccc(F)cc2Br)C1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is BRIBPEPILDOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-3-11-4-7-16(19-2)13(8-11)9-12-5-6-14(18)10-15(12)17/h5-6,10-11,13,16,19H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 328.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63403844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).