3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline

C14H19BrFN — CID 113451910

IUPAC3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
SMILESCCC1CCCC(Nc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFN/c1-2-10-4-3-5-11(8-10)17-12-6-7-14(16)13(15)9-12/h6-7,9-11,17H,2-5,8H2,1H3
InChIKeyHXXGZRRFHPYZRL-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.97
Rot. Bonds3

About 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline

3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline (PubChem CID 113451910) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
PubChem CID113451910
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
SMILESCCC1CCCC(Nc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H19BrFN/c1-2-10-4-3-5-11(8-10)17-12-6-7-14(16)13(15)9-12/h6-7,9-11,17H,2-5,8H2,1H3
InChIKeyHXXGZRRFHPYZRL-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
CID 65435528
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
4-[(3-ethylcyclohexyl)amino]benzene-1,2-dicarbonitrile
CID 107788181
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
3-bromo-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 115929864
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
N-(3-bromo-4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113451938
(3S)-N-(3-bromo-4-fluorophenyl)thian-3-amine
CID 97358764
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline?
The IUPAC name of 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline (CID 113451910) is 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline.
What is the SMILES notation for 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline?
The canonical SMILES for 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline is CCC1CCCC(Nc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline?
The InChIKey is HXXGZRRFHPYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-10-4-3-5-11(8-10)17-12-6-7-14(16)13(15)9-12/h6-7,9-11,17H,2-5,8H2,1H3.
What are the key properties of 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline?
3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline has a molecular weight of 300.21 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline is sourced from PubChem (CID 113451910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).