N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine

C17H18BrF2N — CID 63526365

IUPACN-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C17H18BrF2N/c1-2-8-21-17(10-12-4-3-5-14(19)9-12)15-7-6-13(18)11-16(15)20/h3-7,9,11,17,21H,2,8,10H2,1H3
InChIKeyTWJAQWKFBYJTAV-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.01
Rot. Bonds6

About N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine

N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63526365) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
PubChem CID63526365
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C17H18BrF2N/c1-2-8-21-17(10-12-4-3-5-14(19)9-12)15-7-6-13(18)11-16(15)20/h3-7,9,11,17,21H,2,8,10H2,1H3
InChIKeyTWJAQWKFBYJTAV-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 65306968
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine (CID 63526365) is N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is TWJAQWKFBYJTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-8-21-17(10-12-4-3-5-14(19)9-12)15-7-6-13(18)11-16(15)20/h3-7,9,11,17,21H,2,8,10H2,1H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine?
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 354.24 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63526365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).