2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline

C15H16BrNO2 — CID 104706778

IUPAC2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCc2ccccc2N)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-12-6-7-15(13(16)10-12)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,17H2,1H3
InChIKeyTWGCUZIGOUATPF-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.66
Rot. Bonds5

About 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline

2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline (PubChem CID 104706778) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
PubChem CID104706778
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
SMILESCOc1ccc(OCCc2ccccc2N)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-18-12-6-7-15(13(16)10-12)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,17H2,1H3
InChIKeyTWGCUZIGOUATPF-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
CID 104707451
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
2-[2-(2-aminophenyl)ethoxy]-5-bromobenzonitrile
CID 102902840
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
2-[(2,4-dibromophenoxy)methyl]aniline
CID 62055358
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
2-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62497603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline?
The IUPAC name of 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline (CID 104706778) is 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline is COc1ccc(OCCc2ccccc2N)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline?
The InChIKey is TWGCUZIGOUATPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-12-6-7-15(13(16)10-12)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline?
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline has a molecular weight of 322.20 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 104706778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).