1-N-cyclopentyl-4-fluorobenzene-1,3-diamine

C11H15FN2 — CID 82933776

IUPAC1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
SMILESNc1cc(NC2CCCC2)ccc1F
InChIInChI=1S/C11H15FN2/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4,13H2
InChIKeyDVWMTCGAVQYVJD-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.76
Rot. Bonds2

About 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine

1-N-cyclopentyl-4-fluorobenzene-1,3-diamine (PubChem CID 82933776) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
PubChem CID82933776
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
SMILESNc1cc(NC2CCCC2)ccc1F
InChIInChI=1S/C11H15FN2/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4,13H2
InChIKeyDVWMTCGAVQYVJD-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.76
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

4-bromo-1-N-cyclopentylbenzene-1,3-diamine
CID 82934286
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
CID 70292757
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
CID 82933880
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342641
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine?
The IUPAC name of 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine (CID 82933776) is 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine.
What is the SMILES notation for 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine?
The canonical SMILES for 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine is Nc1cc(NC2CCCC2)ccc1F.
What is the InChIKey of 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine?
The InChIKey is DVWMTCGAVQYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4,13H2.
What are the key properties of 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine?
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine has a molecular weight of 194.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-fluorobenzene-1,3-diamine is sourced from PubChem (CID 82933776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).