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

C12H13BrClF2N — CID 106272393

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
SMILESFc1ccc(Br)c(F)c1CNCC1(CCl)CC1
InChIInChI=1S/C12H13BrClF2N/c13-9-1-2-10(15)8(11(9)16)5-17-7-12(6-14)3-4-12/h1-2,17H,3-7H2
InChIKeyGRXAJPHMFQJYTP-UHFFFAOYSA-N
MW324.60 g/mol
LogP3.84
Rot. Bonds5

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

1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine (PubChem CID 106272393) has the molecular formula C12H13BrClF2N and a molecular weight of 324.60 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
PubChem CID106272393
Molecular FormulaC12H13BrClF2N
Molecular Weight324.60 g/mol
Exact Mass322.99
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
SMILESFc1ccc(Br)c(F)c1CNCC1(CCl)CC1
InChIInChI=1S/C12H13BrClF2N/c13-9-1-2-10(15)8(11(9)16)5-17-7-12(6-14)3-4-12/h1-2,17H,3-7H2
InChIKeyGRXAJPHMFQJYTP-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.60
LogP ≤ 53.84
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

1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 114165676
1-(3-bromo-2,6-difluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 106263585
1-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106263515
1-(2-bromo-4-fluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455628
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine
CID 106272287
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 106263727
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 106263103

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine (CID 106272393) is 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine is Fc1ccc(Br)c(F)c1CNCC1(CCl)CC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine?
The InChIKey is GRXAJPHMFQJYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClF2N/c13-9-1-2-10(15)8(11(9)16)5-17-7-12(6-14)3-4-12/h1-2,17H,3-7H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine?
1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine has a molecular weight of 324.60 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 106272393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).