2-bromo-N-(2-cyclohexyloxyethyl)aniline

C14H20BrNO — CID 55088144

IUPAC2-bromo-N-(2-cyclohexyloxyethyl)aniline
SMILESBrc1ccccc1NCCOC1CCCCC1
InChIInChI=1S/C14H20BrNO/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10-11H2
InChIKeyMEMIFXQIETVFEM-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.21
Rot. Bonds5

About 2-bromo-N-(2-cyclohexyloxyethyl)aniline

2-bromo-N-(2-cyclohexyloxyethyl)aniline (PubChem CID 55088144) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclohexyloxyethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-cyclohexyloxyethyl)aniline
PubChem CID55088144
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-N-(2-cyclohexyloxyethyl)aniline
SMILESBrc1ccccc1NCCOC1CCCCC1
InChIInChI=1S/C14H20BrNO/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10-11H2
InChIKeyMEMIFXQIETVFEM-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.21
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

2-bromo-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
CID 63506341
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
2-bromo-N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511701
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511700
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 63825845
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
CID 63824048
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752
2-bromo-N-(cyclobutylmethyl)aniline
CID 65457106

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)aniline?
The IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)aniline (CID 55088144) is 2-bromo-N-(2-cyclohexyloxyethyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-cyclohexyloxyethyl)aniline?
The canonical SMILES for 2-bromo-N-(2-cyclohexyloxyethyl)aniline is Brc1ccccc1NCCOC1CCCCC1.
What is the InChIKey of 2-bromo-N-(2-cyclohexyloxyethyl)aniline?
The InChIKey is MEMIFXQIETVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-8-4-5-9-14(13)16-10-11-17-12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10-11H2.
What are the key properties of 2-bromo-N-(2-cyclohexyloxyethyl)aniline?
2-bromo-N-(2-cyclohexyloxyethyl)aniline has a molecular weight of 298.22 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclohexyloxyethyl)aniline is sourced from PubChem (CID 55088144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).