3-bromo-5-(cyclohexyloxymethyl)aniline

C13H18BrNO — CID 103350225

IUPAC3-bromo-5-(cyclohexyloxymethyl)aniline
SMILESNc1cc(Br)cc(COC2CCCCC2)c1
InChIInChI=1S/C13H18BrNO/c14-11-6-10(7-12(15)8-11)9-16-13-4-2-1-3-5-13/h6-8,13H,1-5,9,15H2
InChIKeyKPOGOQDRSYGCPC-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.88
Rot. Bonds3

About 3-bromo-5-(cyclohexyloxymethyl)aniline

3-bromo-5-(cyclohexyloxymethyl)aniline (PubChem CID 103350225) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-5-(cyclohexyloxymethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-(cyclohexyloxymethyl)aniline
PubChem CID103350225
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-bromo-5-(cyclohexyloxymethyl)aniline
SMILESNc1cc(Br)cc(COC2CCCCC2)c1
InChIInChI=1S/C13H18BrNO/c14-11-6-10(7-12(15)8-11)9-16-13-4-2-1-3-5-13/h6-8,13H,1-5,9,15H2
InChIKeyKPOGOQDRSYGCPC-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-2-(methoxymethyl)aniline
CID 43349731
3-[(Cyclohexyloxy)methyl]aniline
CID 20114355
Ethyl 2-bromo-4-fluoro-5-aminobenzyl ether
CID 20032368
5-Bromo-3-(1-ethoxypropyl)-4-fluorobenzene-1,2-diamine
CID 145704224
3-Bromo-5-[ethoxy-(4-fluorophenyl)methyl]aniline
CID 146422470
3-Bromo-2-fluoro-5-(oxan-2-yloxymethyl)aniline
CID 154631596
1-Bromo-3-[(3-fluorocyclopentyl)oxymethyl]-5-nitrobenzene
CID 177331075
4-[(3-Bromo-4-fluorophenyl)methoxymethyl]aniline
CID 28493032
4-[(5-Bromo-2-fluorophenyl)methoxymethyl]aniline
CID 28493052
3-Bromo-2-[(2-fluorophenyl)methoxymethyl]aniline
CID 63932633
4-[(3-Bromo-5-fluorophenyl)methoxymethyl]aniline
CID 79703360
2-Bromo-5-(2,2-difluoroethoxymethyl)aniline
CID 82004935

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(cyclohexyloxymethyl)aniline?
The IUPAC name of 3-bromo-5-(cyclohexyloxymethyl)aniline (CID 103350225) is 3-bromo-5-(cyclohexyloxymethyl)aniline.
What is the SMILES notation for 3-bromo-5-(cyclohexyloxymethyl)aniline?
The canonical SMILES for 3-bromo-5-(cyclohexyloxymethyl)aniline is Nc1cc(Br)cc(COC2CCCCC2)c1.
What is the InChIKey of 3-bromo-5-(cyclohexyloxymethyl)aniline?
The InChIKey is KPOGOQDRSYGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-11-6-10(7-12(15)8-11)9-16-13-4-2-1-3-5-13/h6-8,13H,1-5,9,15H2.
What are the key properties of 3-bromo-5-(cyclohexyloxymethyl)aniline?
3-bromo-5-(cyclohexyloxymethyl)aniline has a molecular weight of 284.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(cyclohexyloxymethyl)aniline is sourced from PubChem (CID 103350225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).