N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine

C13H18BrF2N — CID 106263475

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H18BrF2N/c1-2-3-4-5-8-17-9-10-12(15)7-6-11(14)13(10)16/h6-7,17H,2-5,8-9H2,1H3
InChIKeyYZEULBFGCGUIMQ-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.40
Rot. Bonds7

About N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine

N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine (PubChem CID 106263475) has the molecular formula C13H18BrF2N and a molecular weight of 306.19 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine
PubChem CID106263475
Molecular FormulaC13H18BrF2N
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H18BrF2N/c1-2-3-4-5-8-17-9-10-12(15)7-6-11(14)13(10)16/h6-7,17H,2-5,8-9H2,1H3
InChIKeyYZEULBFGCGUIMQ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]pentan-1-amine
CID 106263073
N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 106263898
N-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106263911
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylsulfonylethanamine
CID 106263872
N-[(4-bromo-3-fluorophenyl)methyl]hexan-1-amine
CID 81436257
4-[(3-bromo-2,6-difluorophenyl)methylamino]butan-2-ol
CID 106263499
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 106263912
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 114165705
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 106263478
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[(2-bromo-5-fluorophenyl)methyl]octan-1-amine
CID 55191408
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 106263759

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine (CID 106263475) is N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine is CCCCCCNCc1c(F)ccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine?
The InChIKey is YZEULBFGCGUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF2N/c1-2-3-4-5-8-17-9-10-12(15)7-6-11(14)13(10)16/h6-7,17H,2-5,8-9H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine has a molecular weight of 306.19 g/mol, XLogP of 4.40, 7 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]hexan-1-amine is sourced from PubChem (CID 106263475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).