1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine

C15H22FN3O2 — CID 103594245

IUPAC1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)C2CCCCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H22FN3O2/c1-10-7-13(15(19(20)21)8-12(10)16)18-14(9-17)11-5-3-2-4-6-11/h7-8,11,14,18H,2-6,9,17H2,1H3
InChIKeyHKEYVUSYYOZWEB-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.36
Rot. Bonds5

About 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine

1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine (PubChem CID 103594245) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
PubChem CID103594245
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)C2CCCCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H22FN3O2/c1-10-7-13(15(19(20)21)8-12(10)16)18-14(9-17)11-5-3-2-4-6-11/h7-8,11,14,18H,2-6,9,17H2,1H3
InChIKeyHKEYVUSYYOZWEB-UHFFFAOYSA-N
XLogP3.36
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-chloro-5-fluoro-2-nitrophenyl)-1-cyclohexylethane-1,2-diamine
CID 115309612
5-bromo-N-(1-cyclohexylpropyl)-4-fluoro-2-nitroaniline
CID 116737111
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
CID 106738349
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
2-N-(4-fluoro-5-methyl-2-nitrophenyl)-4-methylpentane-1,2-diamine
CID 103594176
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594201
N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
CID 113316435
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
1-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594244

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine (CID 103594245) is 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine is Cc1cc(NC(CN)C2CCCCC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine?
The InChIKey is HKEYVUSYYOZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10-7-13(15(19(20)21)8-12(10)16)18-14(9-17)11-5-3-2-4-6-11/h7-8,11,14,18H,2-6,9,17H2,1H3.
What are the key properties of 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine?
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine has a molecular weight of 295.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 103594245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).