4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride

C15H23BrClFN2 — CID 3044891

IUPAC4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride
SMILESCCN(Cc1cc(Br)cc(F)c1N)C1CCCCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-2-19(13-6-4-3-5-7-13)10-11-8-12(16)9-14(17)15(11)18;/h8-9,13H,2-7,10,18H2,1H3;1H
InChIKeyRISGTWZIDAMQPS-UHFFFAOYSA-N
MW365.72 g/mol
LogP4.75
Rot. Bonds4

About 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride

4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride (PubChem CID 3044891) has the molecular formula C15H23BrClFN2 and a molecular weight of 365.72 g/mol. Its IUPAC name is 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride.

Molecular Properties

Compound Name4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride
PubChem CID3044891
Molecular FormulaC15H23BrClFN2
Molecular Weight365.72 g/mol
Exact Mass364.07
IUPAC Name4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride
SMILESCCN(Cc1cc(Br)cc(F)c1N)C1CCCCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-2-19(13-6-4-3-5-7-13)10-11-8-12(16)9-14(17)15(11)18;/h8-9,13H,2-7,10,18H2,1H3;1H
InChIKeyRISGTWZIDAMQPS-UHFFFAOYSA-N
XLogP4.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride?
The IUPAC name of 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride (CID 3044891) is 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride.
What is the SMILES notation for 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride?
The canonical SMILES for 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride is CCN(Cc1cc(Br)cc(F)c1N)C1CCCCC1.Cl.
What is the InChIKey of 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride?
The InChIKey is RISGTWZIDAMQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2.ClH/c1-2-19(13-6-4-3-5-7-13)10-11-8-12(16)9-14(17)15(11)18;/h8-9,13H,2-7,10,18H2,1H3;1H.
What are the key properties of 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride?
4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride has a molecular weight of 365.72 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[cyclohexyl(ethyl)amino]methyl]-6-fluoroaniline;hydrochloride is sourced from PubChem (CID 3044891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).