1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine

C13H19FN2 — CID 43371532

IUPAC1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1NCC1CCCCC1
InChIInChI=1S/C13H19FN2/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyAMOCQGAQFFEDIP-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.40
Rot. Bonds3

About 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine

1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine (PubChem CID 43371532) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
PubChem CID43371532
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1NCC1CCCCC1
InChIInChI=1S/C13H19FN2/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyAMOCQGAQFFEDIP-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.40
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-(cyclohexylmethyl)-4-iodobenzene-1,2-diamine
CID 66066462
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
CID 43370979
ethyl 3-amino-4-(cyclohexylmethylamino)benzoate
CID 61305342
4-fluoro-1-N-[2-(1-methylpiperidin-3-yl)ethyl]benzene-1,2-diamine
CID 115124856
2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
CID 43560333
4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
CID 29052172
3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
CID 60876329
1-N-(cyclobutylmethyl)-4-nitrobenzene-1,2-diamine
CID 62507452
2-N-(cyclopentylmethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 55215889
2-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592047
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-fluorobenzene-1,2-diamine
CID 66396180

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine (CID 43371532) is 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine is Nc1cc(F)ccc1NCC1CCCCC1.
What is the InChIKey of 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is AMOCQGAQFFEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2.
What are the key properties of 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine?
1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 222.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 43371532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).