N-[1-(3-bromophenyl)ethyl]-2-chloroaniline

C14H13BrClN — CID 43104592

IUPACN-[1-(3-bromophenyl)ethyl]-2-chloroaniline
SMILESCC(Nc1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClN/c1-10(11-5-4-6-12(15)9-11)17-14-8-3-2-7-13(14)16/h2-10,17H,1H3
InChIKeyBFPBOQXUVVIEII-UHFFFAOYSA-N
MW310.62 g/mol
LogP5.28
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2-chloroaniline

N-[1-(3-bromophenyl)ethyl]-2-chloroaniline (PubChem CID 43104592) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-chloroaniline
PubChem CID43104592
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-chloroaniline
SMILESCC(Nc1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClN/c1-10(11-5-4-6-12(15)9-11)17-14-8-3-2-7-13(14)16/h2-10,17H,1H3
InChIKeyBFPBOQXUVVIEII-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.62
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-fluoroaniline
CID 43194878
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
N-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
N-[1-(3-bromophenyl)ethyl]-4-chloro-2-(trifluoromethyl)aniline
CID 43093498
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
2-amino-3-[1-(3-bromophenyl)ethylamino]benzonitrile
CID 104716504
N-[1-(3-bromophenyl)ethyl]-4-chloro-3-methoxyaniline
CID 107621052

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-chloroaniline?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-chloroaniline (CID 43104592) is N-[1-(3-bromophenyl)ethyl]-2-chloroaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-chloroaniline?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-chloroaniline is CC(Nc1ccccc1Cl)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-chloroaniline?
The InChIKey is BFPBOQXUVVIEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-10(11-5-4-6-12(15)9-11)17-14-8-3-2-7-13(14)16/h2-10,17H,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-chloroaniline?
N-[1-(3-bromophenyl)ethyl]-2-chloroaniline has a molecular weight of 310.62 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-chloroaniline is sourced from PubChem (CID 43104592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).