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

C10H11BrClF2N — CID 106272287

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine
SMILESCC(Cl)CNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H11BrClF2N/c1-6(12)4-15-5-7-9(13)3-2-8(11)10(7)14/h2-3,6,15H,4-5H2,1H3
InChIKeyONJLEMFRJORYRZ-UHFFFAOYSA-N
MW298.56 g/mol
LogP3.44
Rot. Bonds4

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

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine (PubChem CID 106272287) has the molecular formula C10H11BrClF2N and a molecular weight of 298.56 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine
PubChem CID106272287
Molecular FormulaC10H11BrClF2N
Molecular Weight298.56 g/mol
Exact Mass296.97
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine
SMILESCC(Cl)CNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H11BrClF2N/c1-6(12)4-15-5-7-9(13)3-2-8(11)10(7)14/h2-3,6,15H,4-5H2,1H3
InChIKeyONJLEMFRJORYRZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
CID 106263718
4-[(3-bromo-2,6-difluorophenyl)methylamino]butan-2-ol
CID 106263499
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,2,3-trimethylbutan-1-amine
CID 114165733
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 106263862
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 114165705
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 106263759
N-[(3-bromo-2,6-difluorophenyl)methyl]pentan-1-amine
CID 106263073
3-(3-bromo-2,6-difluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 106943534
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-phenylbutan-1-amine
CID 106263436
N-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106263911
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(1-chloroethyl)aniline
CID 106272327

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine (CID 106272287) is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine is CC(Cl)CNCc1c(F)ccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine?
The InChIKey is ONJLEMFRJORYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF2N/c1-6(12)4-15-5-7-9(13)3-2-8(11)10(7)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine has a molecular weight of 298.56 g/mol, XLogP of 3.44, 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]-2-chloropropan-1-amine is sourced from PubChem (CID 106272287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).