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

C14H11BrClF2N — CID 106263103

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine
SMILESFc1ccc(Br)c(F)c1CNCc1ccccc1Cl
InChIInChI=1S/C14H11BrClF2N/c15-11-5-6-13(17)10(14(11)18)8-19-7-9-3-1-2-4-12(9)16/h1-6,19H,7-8H2
InChIKeySOMGNOPODMOJPW-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.67
Rot. Bonds4

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

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine (PubChem CID 106263103) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine
PubChem CID106263103
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine
SMILESFc1ccc(Br)c(F)c1CNCc1ccccc1Cl
InChIInChI=1S/C14H11BrClF2N/c15-11-5-6-13(17)10(14(11)18)8-19-7-9-3-1-2-4-12(9)16/h1-6,19H,7-8H2
InChIKeySOMGNOPODMOJPW-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine
CID 106272287
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
N-[(3-bromo-2,6-difluorophenyl)methyl]pentan-1-amine
CID 106263073
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263151
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-phenylbutan-1-amine
CID 106263436
1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234562
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine
CID 106263475
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
CID 106263718
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
CID 106263110

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine (CID 106263103) is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine is Fc1ccc(Br)c(F)c1CNCc1ccccc1Cl.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine?
The InChIKey is SOMGNOPODMOJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c15-11-5-6-13(17)10(14(11)18)8-19-7-9-3-1-2-4-12(9)16/h1-6,19H,7-8H2.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine has a molecular weight of 346.60 g/mol, XLogP of 4.67, 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-chlorophenyl)methanamine is sourced from PubChem (CID 106263103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).