N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine

C16H16BrF2N — CID 114871438

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cc(F)ccc1Br)c1cccc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-16(11-4-3-5-13(18)8-11)20-10-12-9-14(19)6-7-15(12)17/h3-9,16,20H,2,10H2,1H3
InChIKeyQYRZVDZHPSFVJN-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.97
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine

N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871438) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871438
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCc1cc(F)ccc1Br)c1cccc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-16(11-4-3-5-13(18)8-11)20-10-12-9-14(19)6-7-15(12)17/h3-9,16,20H,2,10H2,1H3
InChIKeyQYRZVDZHPSFVJN-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
N-(1,3-benzodioxol-4-ylmethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871455
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114871373
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
2-[(2-bromo-5-fluorophenyl)methylamino]butanoic acid
CID 64667971
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 60819665

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine (CID 114871438) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine is CCC(NCc1cc(F)ccc1Br)c1cccc(F)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is QYRZVDZHPSFVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-16(11-4-3-5-13(18)8-11)20-10-12-9-14(19)6-7-15(12)17/h3-9,16,20H,2,10H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).