N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine

C9H9BrClF2N — CID 115406997

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClF2N/c10-7-1-2-8(11)6(3-7)4-14-5-9(12)13/h1-3,9,14H,4-5H2
InChIKeyDDKOTAUCLWXDBP-UHFFFAOYSA-N
MW284.53 g/mol
LogP3.46
Rot. Bonds4

About N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine

N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine (PubChem CID 115406997) has the molecular formula C9H9BrClF2N and a molecular weight of 284.53 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
PubChem CID115406997
Molecular FormulaC9H9BrClF2N
Molecular Weight284.53 g/mol
Exact Mass282.96
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClF2N/c10-7-1-2-8(11)6(3-7)4-14-5-9(12)13/h1-3,9,14H,4-5H2
InChIKeyDDKOTAUCLWXDBP-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-2-methoxypropan-1-amine
CID 102795107
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757558
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764019
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 103792327
1-[(5-bromo-2-chlorophenyl)methylamino]pentan-3-ol
CID 115732835
2-[[(5-bromo-2-chlorophenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073184
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 102673478
N-[(4-chloro-3-ethylphenyl)methyl]-2,2-difluoroethanamine
CID 87065341
N-[(5-bromo-2-chlorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588161
N-[(6-bromonaphthalen-2-yl)methyl]-2,2-difluoroethanamine
CID 115406977
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine (CID 115406997) is N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is DDKOTAUCLWXDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF2N/c10-7-1-2-8(11)6(3-7)4-14-5-9(12)13/h1-3,9,14H,4-5H2.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine?
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 284.53 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115406997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).