2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

C16H23BrFN — CID 79701432

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-3-19-16-5-4-11(2)6-13(16)7-12-8-14(17)10-15(18)9-12/h8-11,13,16,19H,3-7H2,1-2H3
InChIKeyVBFVZRLHUQYLJA-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.55
Rot. Bonds4

About 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 79701432) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID79701432
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H23BrFN/c1-3-19-16-5-4-11(2)6-13(16)7-12-8-14(17)10-15(18)9-12/h8-11,13,16,19H,3-7H2,1-2H3
InChIKeyVBFVZRLHUQYLJA-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-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 79711062
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 79703128
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
N-[(3-bromo-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 79709823
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 79701432) is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is VBFVZRLHUQYLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-3-19-16-5-4-11(2)6-13(16)7-12-8-14(17)10-15(18)9-12/h8-11,13,16,19H,3-7H2,1-2H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[(3-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-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 79701432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).