2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline

C14H11BrClF2N — CID 103477852

IUPAC2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11BrClF2N/c1-8(9-5-6-11(17)12(18)7-9)19-13-4-2-3-10(16)14(13)15/h2-8,19H,1H3
InChIKeyJDFFRFZNCMDXNO-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.55
Rot. Bonds3

About 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline

2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline (PubChem CID 103477852) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
PubChem CID103477852
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11BrClF2N/c1-8(9-5-6-11(17)12(18)7-9)19-13-4-2-3-10(16)14(13)15/h2-8,19H,1H3
InChIKeyJDFFRFZNCMDXNO-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
CID 43122894
2-bromo-3-chloro-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]aniline
CID 103478414
2-bromo-3-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 103478123
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
3-bromo-5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43689304

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline (CID 103477852) is 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline is CC(Nc1cccc(Cl)c1Br)c1ccc(F)c(F)c1.
What is the InChIKey of 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
The InChIKey is JDFFRFZNCMDXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-8(9-5-6-11(17)12(18)7-9)19-13-4-2-3-10(16)14(13)15/h2-8,19H,1H3.
What are the key properties of 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline has a molecular weight of 346.60 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline is sourced from PubChem (CID 103477852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).