2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline

C10H12F2N2 — CID 117047234

IUPAC2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline
SMILESNCC1(c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C10H12F2N2/c11-6-1-2-7(14)8(9(6)12)10(5-13)3-4-10/h1-2H,3-5,13-14H2
InChIKeyGSGXZQAQRDZQJS-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.54
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline

2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline (PubChem CID 117047234) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline
PubChem CID117047234
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline
SMILESNCC1(c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C10H12F2N2/c11-6-1-2-7(14)8(9(6)12)10(5-13)3-4-10/h1-2H,3-5,13-14H2
InChIKeyGSGXZQAQRDZQJS-UHFFFAOYSA-N
XLogP1.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline (CID 117047234) is 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline is NCC1(c2c(N)ccc(F)c2F)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline?
The InChIKey is GSGXZQAQRDZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-6-1-2-7(14)8(9(6)12)10(5-13)3-4-10/h1-2H,3-5,13-14H2.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline?
2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline has a molecular weight of 198.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-3,4-difluoroaniline is sourced from PubChem (CID 117047234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).