4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine

C14H20BrFN2 — CID 116735634

IUPAC4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(N(C)c2cc(Br)c(F)cc2N)C1
InChIInChI=1S/C14H20BrFN2/c1-9-4-3-5-10(6-9)18(2)14-7-11(15)12(16)8-13(14)17/h7-10H,3-6,17H2,1-2H3
InChIKeyPOPYDOPZNJNHBV-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.19
Rot. Bonds2

About 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine

4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine (PubChem CID 116735634) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
PubChem CID116735634
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(N(C)c2cc(Br)c(F)cc2N)C1
InChIInChI=1S/C14H20BrFN2/c1-9-4-3-5-10(6-9)18(2)14-7-11(15)12(16)8-13(14)17/h7-10H,3-6,17H2,1-2H3
InChIKeyPOPYDOPZNJNHBV-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.19
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

3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 115506720
2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 61444665
4-bromo-2-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735561
1-N-methyl-1-N-(3-methylcyclohexyl)-4-methylsulfonylbenzene-1,2-diamine
CID 61444856
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
4-bromo-2-N-(1-cyclopropylethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735526
2-(difluoromethyl)-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 63734959
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 103697325
5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 79900084
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733
2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 63539775
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 116735744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine (CID 116735634) is 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine is CC1CCCC(N(C)c2cc(Br)c(F)cc2N)C1.
What is the InChIKey of 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The InChIKey is POPYDOPZNJNHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9-4-3-5-10(6-9)18(2)14-7-11(15)12(16)8-13(14)17/h7-10H,3-6,17H2,1-2H3.
What are the key properties of 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine?
4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine has a molecular weight of 315.23 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-N-methyl-2-N-(3-methylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 116735634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).