2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline

C16H17BrClNO — CID 81262643

IUPAC2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
SMILESCCOc1ccccc1C(C)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-9-8-12(18)10-14(15)17/h4-11,19H,3H2,1-2H3
InChIKeyRTUWVUFHLSONPS-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.67
Rot. Bonds5

About 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline

2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline (PubChem CID 81262643) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
PubChem CID81262643
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
SMILESCCOc1ccccc1C(C)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C16H17BrClNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-9-8-12(18)10-14(15)17/h4-11,19H,3H2,1-2H3
InChIKeyRTUWVUFHLSONPS-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
3-bromo-4-[1-(2-ethoxyphenyl)ethylamino]benzonitrile
CID 43722768
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
CID 60935431
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline (CID 81262643) is 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline is CCOc1ccccc1C(C)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
The InChIKey is RTUWVUFHLSONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-9-8-12(18)10-14(15)17/h4-11,19H,3H2,1-2H3.
What are the key properties of 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline?
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline has a molecular weight of 354.68 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 81262643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).