2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline

C16H23FN2O2 — CID 43719065

IUPAC2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
SMILESCC1CCC(C(C)C)C(Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C16H23FN2O2/c1-10(2)13-6-4-11(3)8-15(13)18-16-9-12(19(20)21)5-7-14(16)17/h5,7,9-11,13,15,18H,4,6,8H2,1-3H3
InChIKeyNZEAHYMPWDHPNC-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.61
Rot. Bonds4

About 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline

2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline (PubChem CID 43719065) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
PubChem CID43719065
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
SMILESCC1CCC(C(C)C)C(Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C16H23FN2O2/c1-10(2)13-6-4-11(3)8-15(13)18-16-9-12(19(20)21)5-7-14(16)17/h5,7,9-11,13,15,18H,4,6,8H2,1-3H3
InChIKeyNZEAHYMPWDHPNC-UHFFFAOYSA-N
XLogP4.61
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
3-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
CID 107334690
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096
N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
CID 64762309
2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-nitroaniline
CID 43719610
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 63477106
5-methyl-N-[(3-nitrophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 43710039
[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]amino]-3-nitrophenyl] acetate
CID 175057673
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43102820
2-fluoro-N-(2-methylsulfonylcyclopentyl)-5-nitroaniline
CID 65043888
2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
CID 43719007

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline?
The IUPAC name of 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline (CID 43719065) is 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline.
What is the SMILES notation for 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline?
The canonical SMILES for 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline is CC1CCC(C(C)C)C(Nc2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline?
The InChIKey is NZEAHYMPWDHPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10(2)13-6-4-11(3)8-15(13)18-16-9-12(19(20)21)5-7-14(16)17/h5,7,9-11,13,15,18H,4,6,8H2,1-3H3.
What are the key properties of 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline?
2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline has a molecular weight of 294.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline is sourced from PubChem (CID 43719065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).