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

C14H19BrFN — CID 28939093

IUPAC2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
SMILESCCC1CCC(Nc2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H19BrFN/c1-2-10-3-6-12(7-4-10)17-14-8-5-11(16)9-13(14)15/h5,8-10,12,17H,2-4,6-7H2,1H3
InChIKeyIDDAWHZSSOIQDV-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.97
Rot. Bonds3

About 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline

2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline (PubChem CID 28939093) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
PubChem CID28939093
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline
SMILESCCC1CCC(Nc2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H19BrFN/c1-2-10-3-6-12(7-4-10)17-14-8-5-11(16)9-13(14)15/h5,8-10,12,17H,2-4,6-7H2,1H3
InChIKeyIDDAWHZSSOIQDV-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

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CID 28939094
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2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
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N-(2-bromo-4-fluorophenyl)oxolan-3-amine
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N-(2-bromo-4-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43772540
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
3-bromo-4-[(3-ethylcyclopentyl)amino]benzonitrile
CID 64502119
4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
CID 65343384
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
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CID 54955528

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline?
The IUPAC name of 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline (CID 28939093) is 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline is CCC1CCC(Nc2ccc(F)cc2Br)CC1.
What is the InChIKey of 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline?
The InChIKey is IDDAWHZSSOIQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-10-3-6-12(7-4-10)17-14-8-5-11(16)9-13(14)15/h5,8-10,12,17H,2-4,6-7H2,1H3.
What are the key properties of 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline?
2-bromo-N-(4-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 2-bromo-N-(4-ethylcyclohexyl)-4-fluoroaniline is sourced from PubChem (CID 28939093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).