1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine

C16H15BrCl2FN — CID 43780236

IUPAC1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1ccccc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2FN/c1-9(11-5-3-4-6-13(11)17)21-10(2)12-7-16(20)15(19)8-14(12)18/h3-10,21H,1-2H3
InChIKeyXVNLEYXEJHLBOG-UHFFFAOYSA-N
MW391.11 g/mol
LogP6.31
Rot. Bonds4

About 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine

1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine (PubChem CID 43780236) has the molecular formula C16H15BrCl2FN and a molecular weight of 391.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
PubChem CID43780236
Molecular FormulaC16H15BrCl2FN
Molecular Weight391.11 g/mol
Exact Mass388.97
IUPAC Name1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1ccccc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2FN/c1-9(11-5-3-4-6-13(11)17)21-10(2)12-7-16(20)15(19)8-14(12)18/h3-10,21H,1-2H3
InChIKeyXVNLEYXEJHLBOG-UHFFFAOYSA-N
XLogP6.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 56.31
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

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43767888
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81364650
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 63448794
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81369974
(1R)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405415
4-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715306
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
3-bromo-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]aniline
CID 43762868
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine (CID 43780236) is 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine is CC(NC(C)c1ccccc1Br)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
The InChIKey is XVNLEYXEJHLBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2FN/c1-9(11-5-3-4-6-13(11)17)21-10(2)12-7-16(20)15(19)8-14(12)18/h3-10,21H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine?
1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine has a molecular weight of 391.11 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43780236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).