N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine

C15H20BrF2N — CID 106263351

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H20BrF2N/c1-10-4-2-3-5-11(10)8-19-9-12-14(17)7-6-13(16)15(12)18/h6-7,10-11,19H,2-5,8-9H2,1H3
InChIKeyXQKUNPNVCFKOGA-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.64
Rot. Bonds4

About N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine (PubChem CID 106263351) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
PubChem CID106263351
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H20BrF2N/c1-10-4-2-3-5-11(10)8-19-9-12-14(17)7-6-13(16)15(12)18/h6-7,10-11,19H,2-5,8-9H2,1H3
InChIKeyXQKUNPNVCFKOGA-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine 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-2,6-difluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 106263727
2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106263498
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 106263581
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416853
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(thian-4-yl)methanamine
CID 106263755
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 106263912
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 106263478
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 106263890
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
2,6-difluoro-4-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 79831663
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 114165676

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine (CID 106263351) is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine is CC1CCCCC1CNCc1c(F)ccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
The InChIKey is XQKUNPNVCFKOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-10-4-2-3-5-11(10)8-19-9-12-14(17)7-6-13(16)15(12)18/h6-7,10-11,19H,2-5,8-9H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine has a molecular weight of 332.23 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 106263351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).