2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline

C15H15Br2NO — CID 82825333

IUPAC2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline
SMILESBrc1ccc(COCCNc2ccccc2Br)cc1
InChIInChI=1S/C15H15Br2NO/c16-13-7-5-12(6-8-13)11-19-10-9-18-15-4-2-1-3-14(15)17/h1-8,18H,9-11H2
InChIKeyUOAKLXNSNOGROO-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.84
Rot. Bonds6

About 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline

2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline (PubChem CID 82825333) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline
PubChem CID82825333
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline
SMILESBrc1ccc(COCCNc2ccccc2Br)cc1
InChIInChI=1S/C15H15Br2NO/c16-13-7-5-12(6-8-13)11-19-10-9-18-15-4-2-1-3-14(15)17/h1-8,18H,9-11H2
InChIKeyUOAKLXNSNOGROO-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325657
7-Bromo-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 22956871
6-Bromo-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 70983838
6-Bromo-1,2,3,5-tetrahydro-4,1-benzoxazepine hydrochloride
CID 155970882
2-(4-Bromophenyl)-3-phenyl-1,3-oxazolidine-4-thione
CID 3480829
(2-Benzyloxy-ethyl)-(4-fluoro-phenyl)-amine
CID 55088291
2-fluoro-N-(2-phenylmethoxyethyl)aniline
CID 62565753
(2-Benzyloxy-ethyl)-(3-fluoro-phenyl)-amine
CID 62566681
N-Phenyl-2-benzyloxyethylamine
CID 571665
2-(2-Bromoanilino)-1-phenylethanol
CID 60885012
(2R)-2-(2-bromoanilino)-2-phenylethanol
CID 101206573
2-[anilino-(4-bromophenyl)methyl]-2H-furan-5-one
CID 101580679

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline?
The IUPAC name of 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline (CID 82825333) is 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline?
The canonical SMILES for 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline is Brc1ccc(COCCNc2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline?
The InChIKey is UOAKLXNSNOGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c16-13-7-5-12(6-8-13)11-19-10-9-18-15-4-2-1-3-14(15)17/h1-8,18H,9-11H2.
What are the key properties of 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline?
2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline has a molecular weight of 385.10 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(4-bromophenyl)methoxy]ethyl]aniline is sourced from PubChem (CID 82825333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).