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

C17H18BrClFN — CID 63528786

IUPACN-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H18BrClFN/c1-2-9-21-17(10-12-3-6-14(20)7-4-12)15-8-5-13(18)11-16(15)19/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyFKNFUHVVLZLEQV-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.53
Rot. Bonds6

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

N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 63528786) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID63528786
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H18BrClFN/c1-2-9-21-17(10-12-3-6-14(20)7-4-12)15-8-5-13(18)11-16(15)19/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyFKNFUHVVLZLEQV-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822076
N-[1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841362
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
N-[1-(2,5-dibromothiophen-3-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 43497902

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (CID 63528786) is N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is FKNFUHVVLZLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-2-9-21-17(10-12-3-6-14(20)7-4-12)15-8-5-13(18)11-16(15)19/h3-8,11,17,21H,2,9-10H2,1H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 5.53, 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-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63528786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).