2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine

C11H14F2N2 — CID 62532486

IUPAC2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine
SMILESCC(Nc1c(N)ccc(F)c1F)C1CC1
InChIInChI=1S/C11H14F2N2/c1-6(7-2-3-7)15-11-9(14)5-4-8(12)10(11)13/h4-7,15H,2-3,14H2,1H3
InChIKeyULEMTQWURNFTLS-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.76
Rot. Bonds3

About 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine

2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 62532486) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine
PubChem CID62532486
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine
SMILESCC(Nc1c(N)ccc(F)c1F)C1CC1
InChIInChI=1S/C11H14F2N2/c1-6(7-2-3-7)15-11-9(14)5-4-8(12)10(11)13/h4-7,15H,2-3,14H2,1H3
InChIKeyULEMTQWURNFTLS-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
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

3,4-difluoro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 55086070
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
N-(1-cyclopentylethyl)-2,6-difluoro-3-methylaniline
CID 82816054
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62532682
2-N-[1-(2,4-dichlorophenyl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62533657
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
2-N-(4-ethylcyclohexyl)-3,4-difluorobenzene-1,2-diamine
CID 62531989
3,4-difluoro-2-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 62533166
3,4-difluoro-2-N-(2-propan-2-ylphenyl)benzene-1,2-diamine
CID 55086406
3,4-difluoro-2-N-(oxan-4-ylmethyl)benzene-1,2-diamine
CID 55225841
4-N-[1-(oxan-4-yl)ethyl]benzene-1,2,4-triamine
CID 114115072
3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine
CID 79352222

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine (CID 62532486) is 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine is CC(Nc1c(N)ccc(F)c1F)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is ULEMTQWURNFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-6(7-2-3-7)15-11-9(14)5-4-8(12)10(11)13/h4-7,15H,2-3,14H2,1H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine?
2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine has a molecular weight of 212.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 62532486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).