1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine

C14H21FN2 — CID 43115458

IUPAC1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
SMILESCC1CCCC(Nc2ccc(F)cc2N)C1C
InChIInChI=1S/C14H21FN2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5,16H2,1-2H3
InChIKeyBKTKZFOLRUSEQQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.64
Rot. Bonds2

About 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine

1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine (PubChem CID 43115458) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
PubChem CID43115458
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
SMILESCC1CCCC(Nc2ccc(F)cc2N)C1C
InChIInChI=1S/C14H21FN2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5,16H2,1-2H3
InChIKeyBKTKZFOLRUSEQQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775
6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43115457
1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 64740874
1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-fluorobenzene-1,2-diamine
CID 54968154
1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
CID 54902981
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
2-amino-6-[(2,3-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 83215255
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine (CID 43115458) is 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine is CC1CCCC(Nc2ccc(F)cc2N)C1C.
What is the InChIKey of 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is BKTKZFOLRUSEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5,16H2,1-2H3.
What are the key properties of 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 43115458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).