N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine

C17H25BrFN — CID 63507129

IUPACN-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(F)c(Br)c2)CCCCC1
InChIInChI=1S/C17H25BrFN/c1-2-10-20-13-17(8-4-3-5-9-17)12-14-6-7-16(19)15(18)11-14/h6-7,11,20H,2-5,8-10,12-13H2,1H3
InChIKeyAMIWEDKRFUZWLZ-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.08
Rot. Bonds6

About N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 63507129) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID63507129
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC NameN-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(F)c(Br)c2)CCCCC1
InChIInChI=1S/C17H25BrFN/c1-2-10-20-13-17(8-4-3-5-9-17)12-14-6-7-16(19)15(18)11-14/h6-7,11,20H,2-5,8-10,12-13H2,1H3
InChIKeyAMIWEDKRFUZWLZ-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024671
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777
2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55195085
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine (CID 63507129) is N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(Cc2ccc(F)c(Br)c2)CCCCC1.
What is the InChIKey of N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is AMIWEDKRFUZWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-2-10-20-13-17(8-4-3-5-9-17)12-14-6-7-16(19)15(18)11-14/h6-7,11,20H,2-5,8-10,12-13H2,1H3.
What are the key properties of N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 342.30 g/mol, XLogP of 5.08, 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-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63507129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).