4-bromo-3-chloro-N-(2-methoxyethyl)aniline

C9H11BrClNO — CID 107619929

IUPAC4-bromo-3-chloro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClNO/c1-13-5-4-12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyKCJQQNGEAZLQCX-UHFFFAOYSA-N
MW264.55 g/mol
LogP3.16
Rot. Bonds4

About 4-bromo-3-chloro-N-(2-methoxyethyl)aniline

4-bromo-3-chloro-N-(2-methoxyethyl)aniline (PubChem CID 107619929) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-methoxyethyl)aniline
PubChem CID107619929
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name4-bromo-3-chloro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClNO/c1-13-5-4-12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyKCJQQNGEAZLQCX-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 53.16
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'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805653
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
2-bromo-4-(2-methoxyethylamino)benzonitrile
CID 107275717
4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
CID 107619352
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
4-bromo-3-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]aniline
CID 107620057
4-bromo-3-chloro-N-(2-propan-2-ylsulfonylethyl)aniline
CID 107619790
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
3-bromo-N-(4-methoxybutyl)-4-methylaniline
CID 115776882
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-methoxyethyl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(2-methoxyethyl)aniline (CID 107619929) is 4-bromo-3-chloro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(2-methoxyethyl)aniline is COCCNc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-methoxyethyl)aniline?
The InChIKey is KCJQQNGEAZLQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-13-5-4-12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-(2-methoxyethyl)aniline?
4-bromo-3-chloro-N-(2-methoxyethyl)aniline has a molecular weight of 264.55 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 107619929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).