4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine

C14H21FN2 — CID 62376622

IUPAC4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCC(N(C)c2cc(F)ccc2N)CC1
InChIInChI=1S/C14H21FN2/c1-10-3-6-12(7-4-10)17(2)14-9-11(15)5-8-13(14)16/h5,8-10,12H,3-4,6-7,16H2,1-2H3
InChIKeyKUYCHQIDEBKHPD-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.42
Rot. Bonds2

About 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine

4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine (PubChem CID 62376622) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
PubChem CID62376622
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCC(N(C)c2cc(F)ccc2N)CC1
InChIInChI=1S/C14H21FN2/c1-10-3-6-12(7-4-10)17(2)14-9-11(15)5-8-13(14)16/h5,8-10,12H,3-4,6-7,16H2,1-2H3
InChIKeyKUYCHQIDEBKHPD-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine (CID 62376622) is 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine is CC1CCC(N(C)c2cc(F)ccc2N)CC1.
What is the InChIKey of 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The InChIKey is KUYCHQIDEBKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-3-6-12(7-4-10)17(2)14-9-11(15)5-8-13(14)16/h5,8-10,12H,3-4,6-7,16H2,1-2H3.
What are the key properties of 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 62376622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).