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

C14H19BrFN — CID 65435528

IUPAC4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
SMILESCCC1CCCC(Nc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H19BrFN/c1-2-10-4-3-5-11(8-10)17-12-6-7-13(15)14(16)9-12/h6-7,9-11,17H,2-5,8H2,1H3
InChIKeyBTTIXEVBSYINLD-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.97
Rot. Bonds3

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

4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline (PubChem CID 65435528) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
PubChem CID65435528
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
SMILESCCC1CCCC(Nc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H19BrFN/c1-2-10-4-3-5-11(8-10)17-12-6-7-13(15)14(16)9-12/h6-7,9-11,17H,2-5,8H2,1H3
InChIKeyBTTIXEVBSYINLD-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

3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
CID 113451910
4-bromo-N-cyclopropyl-3-fluoroaniline
CID 103439274
4-[(3-ethylcyclohexyl)amino]benzene-1,2-dicarbonitrile
CID 107788181
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
1-N-(3-ethylcyclohexyl)-3,5-difluorobenzene-1,2-diamine
CID 115507062
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269
1-N-[4-bromo-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458840
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64742040
N-(4-bromo-3-fluorophenyl)thietan-3-amine
CID 130659859

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline?
The IUPAC name of 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline (CID 65435528) is 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline.
What is the SMILES notation for 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline?
The canonical SMILES for 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline is CCC1CCCC(Nc2ccc(Br)c(F)c2)C1.
What is the InChIKey of 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline?
The InChIKey is BTTIXEVBSYINLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-10-4-3-5-11(8-10)17-12-6-7-13(15)14(16)9-12/h6-7,9-11,17H,2-5,8H2,1H3.
What are the key properties of 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline?
4-bromo-N-(3-ethylcyclohexyl)-3-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 4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline is sourced from PubChem (CID 65435528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).