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

C14H21FN2 — CID 64740874

IUPAC1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
SMILESCC1CCC(Nc2ccc(F)cc2N)CC1C
InChIInChI=1S/C14H21FN2/c1-9-3-5-12(7-10(9)2)17-14-6-4-11(15)8-13(14)16/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3
InChIKeyZVKAXDCSAOULLC-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.64
Rot. Bonds2

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

1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine (PubChem CID 64740874) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
PubChem CID64740874
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
SMILESCC1CCC(Nc2ccc(F)cc2N)CC1C
InChIInChI=1S/C14H21FN2/c1-9-3-5-12(7-10(9)2)17-14-6-4-11(15)8-13(14)16/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3
InChIKeyZVKAXDCSAOULLC-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

1-N-(3,4-dimethylcyclohexyl)-4-iodobenzene-1,2-diamine
CID 66082123
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzonitrile
CID 64740902
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
CID 64738505
methyl 2-[(3,4-dimethylcyclohexyl)amino]-5-fluorobenzoate
CID 64744221
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
1-N-(3,4-dimethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64740895
ethyl 4-(2-amino-4-fluoroanilino)cyclohexane-1-carboxylate
CID 67213320
N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
CID 64732806
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718
2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
CID 64502485

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine (CID 64740874) is 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine is CC1CCC(Nc2ccc(F)cc2N)CC1C.
What is the InChIKey of 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is ZVKAXDCSAOULLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-9-3-5-12(7-10(9)2)17-14-6-4-11(15)8-13(14)16/h4,6,8-10,12,17H,3,5,7,16H2,1-2H3.
What are the key properties of 1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine?
1-N-(3,4-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-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 64740874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).