N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine

C14H12BrClFN — CID 103792327

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
SMILESFc1ccccc1CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClFN/c15-12-5-6-13(16)11(7-12)9-18-8-10-3-1-2-4-14(10)17/h1-7,18H,8-9H2
InChIKeyPHAVQDXYQUYZFK-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.53
Rot. Bonds4

About N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine

N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine (PubChem CID 103792327) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
PubChem CID103792327
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
SMILESFc1ccccc1CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C14H12BrClFN/c15-12-5-6-13(16)11(7-12)9-18-8-10-3-1-2-4-14(10)17/h1-7,18H,8-9H2
InChIKeyPHAVQDXYQUYZFK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]aniline
CID 66418834
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64681971
1-(1,3-benzodioxol-4-yl)-N-[(5-bromo-2-chlorophenyl)methyl]methanamine
CID 103792717
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 43221034
1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine (CID 103792327) is N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine is Fc1ccccc1CNCc1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine?
The InChIKey is PHAVQDXYQUYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-12-5-6-13(16)11(7-12)9-18-8-10-3-1-2-4-14(10)17/h1-7,18H,8-9H2.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine?
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine has a molecular weight of 328.61 g/mol, XLogP of 4.53, 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]-1-(2-fluorophenyl)methanamine is sourced from PubChem (CID 103792327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).