4-(3-aminopropyl)-2,3-difluoroaniline

C9H12F2N2 — CID 55254325

IUPAC4-(3-aminopropyl)-2,3-difluoroaniline
SMILESNCCCc1ccc(N)c(F)c1F
InChIInChI=1S/C9H12F2N2/c10-8-6(2-1-5-12)3-4-7(13)9(8)11/h3-4H,1-2,5,12-13H2
InChIKeyBUJXXKFTFDZWJI-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.44
Rot. Bonds3

About 4-(3-aminopropyl)-2,3-difluoroaniline

4-(3-aminopropyl)-2,3-difluoroaniline (PubChem CID 55254325) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2,3-difluoroaniline.

Molecular Properties

Compound Name4-(3-aminopropyl)-2,3-difluoroaniline
PubChem CID55254325
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-(3-aminopropyl)-2,3-difluoroaniline
SMILESNCCCc1ccc(N)c(F)c1F
InChIInChI=1S/C9H12F2N2/c10-8-6(2-1-5-12)3-4-7(13)9(8)11/h3-4H,1-2,5,12-13H2
InChIKeyBUJXXKFTFDZWJI-UHFFFAOYSA-N
XLogP1.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.44
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

CID 7577
CID 7577
CID 7813
CID 7813
CID 7102
CID 7102
CID 7111
CID 7111
CID 7375
CID 7375
CID 10891
CID 10891
CID 7464
CID 7464
CID 11357
CID 11357
CID 9964
CID 9964
CID 11504
CID 11504
CID 7694
CID 7694
CID 75908
CID 75908

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2,3-difluoroaniline?
The IUPAC name of 4-(3-aminopropyl)-2,3-difluoroaniline (CID 55254325) is 4-(3-aminopropyl)-2,3-difluoroaniline.
What is the SMILES notation for 4-(3-aminopropyl)-2,3-difluoroaniline?
The canonical SMILES for 4-(3-aminopropyl)-2,3-difluoroaniline is NCCCc1ccc(N)c(F)c1F.
What is the InChIKey of 4-(3-aminopropyl)-2,3-difluoroaniline?
The InChIKey is BUJXXKFTFDZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c10-8-6(2-1-5-12)3-4-7(13)9(8)11/h3-4H,1-2,5,12-13H2.
What are the key properties of 4-(3-aminopropyl)-2,3-difluoroaniline?
4-(3-aminopropyl)-2,3-difluoroaniline has a molecular weight of 186.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2,3-difluoroaniline is sourced from PubChem (CID 55254325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).