N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine

C15H21BrFN — CID 81436842

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc(Br)c(F)c1
InChIInChI=1S/C15H21BrFN/c1-15(2)8-4-3-5-14(15)18-10-11-6-7-12(16)13(17)9-11/h6-7,9,14,18H,3-5,8,10H2,1-2H3
InChIKeyNMCUHKILOZWITD-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.65
Rot. Bonds3

About N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine

N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 81436842) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID81436842
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc(Br)c(F)c1
InChIInChI=1S/C15H21BrFN/c1-15(2)8-4-3-5-14(15)18-10-11-6-7-12(16)13(17)9-11/h6-7,9,14,18H,3-5,8,10H2,1-2H3
InChIKeyNMCUHKILOZWITD-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-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-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
CID 107740899
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 102911435
N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
CID 115702499
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
5-bromo-N-(2,2-dimethylcyclohexyl)-2,4-difluoroaniline
CID 102853156
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 81436842) is N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is NMCUHKILOZWITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-15(2)8-4-3-5-14(15)18-10-11-6-7-12(16)13(17)9-11/h6-7,9,14,18H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81436842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).