3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine

C13H19FN2 — CID 60876329

IUPAC3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(F)cc(NCC2CCCCC2)c1
InChIInChI=1S/C13H19FN2/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyIYMHRDABNGAZGI-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.40
Rot. Bonds3

About 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine

3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine (PubChem CID 60876329) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
PubChem CID60876329
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(F)cc(NCC2CCCCC2)c1
InChIInChI=1S/C13H19FN2/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyIYMHRDABNGAZGI-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

3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
CID 107364208
N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
CID 59230383
3-bromo-N-(cyclobutylmethyl)-5-fluoroaniline
CID 131072578
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
CID 104574770
N-(cyclopentylmethyl)-5-fluoropyridin-3-amine
CID 130164803
3,5-dichloro-N-(cyclohexylmethyl)aniline
CID 18778534
1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
CID 43371532
N-(cyclobutylmethyl)-3-fluoro-5-nitroaniline
CID 60876882
3-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzene-1,3-diamine
CID 66396181
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine?
The IUPAC name of 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine (CID 60876329) is 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine is Nc1cc(F)cc(NCC2CCCCC2)c1.
What is the InChIKey of 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine?
The InChIKey is IYMHRDABNGAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2.
What are the key properties of 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine?
3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-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 3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 60876329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).