4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine

C15H23FN2 — CID 115124009

IUPAC4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine
SMILESCN(CCC1CCCCC1)c1ccc(N)c(F)c1
InChIInChI=1S/C15H23FN2/c1-18(10-9-12-5-3-2-4-6-12)13-7-8-15(17)14(16)11-13/h7-8,11-12H,2-6,9-10,17H2,1H3
InChIKeyNYVQFHOQPCCDIE-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.81
Rot. Bonds4

About 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine

4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine (PubChem CID 115124009) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine
PubChem CID115124009
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine
SMILESCN(CCC1CCCCC1)c1ccc(N)c(F)c1
InChIInChI=1S/C15H23FN2/c1-18(10-9-12-5-3-2-4-6-12)13-7-8-15(17)14(16)11-13/h7-8,11-12H,2-6,9-10,17H2,1H3
InChIKeyNYVQFHOQPCCDIE-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
CID 115124012
2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125891
4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041491
4-[2-cyclohexylethyl(methyl)amino]benzoic acid
CID 58347543
2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126165
4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
CID 115127341
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
2-N-(2-cyclohexylethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 115147509
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 115124006

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine (CID 115124009) is 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine is CN(CCC1CCCCC1)c1ccc(N)c(F)c1.
What is the InChIKey of 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
The InChIKey is NYVQFHOQPCCDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(10-9-12-5-3-2-4-6-12)13-7-8-15(17)14(16)11-13/h7-8,11-12H,2-6,9-10,17H2,1H3.
What are the key properties of 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine?
4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 115124009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).