2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

C16H23BrFN — CID 63403747

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)ccc1Br
InChIInChI=1S/C16H23BrFN/c1-3-19-16-7-4-11(2)8-13(16)9-12-10-14(18)5-6-15(12)17/h5-6,10-11,13,16,19H,3-4,7-9H2,1-2H3
InChIKeyHBBPTVRALKFOTL-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.55
Rot. Bonds4

About 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 63403747) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID63403747
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)ccc1Br
InChIInChI=1S/C16H23BrFN/c1-3-19-16-7-4-11(2)8-13(16)9-12-10-14(18)5-6-15(12)17/h5-6,10-11,13,16,19H,3-4,7-9H2,1-2H3
InChIKeyHBBPTVRALKFOTL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 63403747) is 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is HBBPTVRALKFOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-3-19-16-7-4-11(2)8-13(16)9-12-10-14(18)5-6-15(12)17/h5-6,10-11,13,16,19H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-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-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 63403747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).