N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

C18H27BrFN — CID 79697362

IUPACN-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C18H27BrFN/c1-14(2)12-21-13-18(6-4-3-5-7-18)11-15-8-16(19)10-17(20)9-15/h8-10,14,21H,3-7,11-13H2,1-2H3
InChIKeyJFZPLOOMZMBILH-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.33
Rot. Bonds6

About N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 79697362) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID79697362
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC NameN-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C18H27BrFN/c1-14(2)12-21-13-18(6-4-3-5-7-18)11-15-8-16(19)10-17(20)9-15/h8-10,14,21H,3-7,11-13H2,1-2H3
InChIKeyJFZPLOOMZMBILH-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 79709667
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
N-[[4-[(3-bromo-5-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 79709588
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63508719
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine (CID 79697362) is N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2cc(F)cc(Br)c2)CCCCC1.
What is the InChIKey of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JFZPLOOMZMBILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-14(2)12-21-13-18(6-4-3-5-7-18)11-15-8-16(19)10-17(20)9-15/h8-10,14,21H,3-7,11-13H2,1-2H3.
What are the key properties of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 356.32 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79697362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).