2-(1,2,3-trimethylcyclopropyl)aniline

C12H17N — CID 144876665

IUPAC2-(1,2,3-trimethylcyclopropyl)aniline
SMILESCC1C(C)C1(C)c1ccccc1N
InChIInChI=1S/C12H17N/c1-8-9(2)12(8,3)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3
InChIKeyBORSZAJHDDAKHT-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.81
Rot. Bonds1

About 2-(1,2,3-trimethylcyclopropyl)aniline

2-(1,2,3-trimethylcyclopropyl)aniline (PubChem CID 144876665) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(1,2,3-trimethylcyclopropyl)aniline.

Molecular Properties

Compound Name2-(1,2,3-trimethylcyclopropyl)aniline
PubChem CID144876665
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-(1,2,3-trimethylcyclopropyl)aniline
SMILESCC1C(C)C1(C)c1ccccc1N
InChIInChI=1S/C12H17N/c1-8-9(2)12(8,3)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3
InChIKeyBORSZAJHDDAKHT-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(1,2,3-trimethylcyclopropyl)aniline?
The IUPAC name of 2-(1,2,3-trimethylcyclopropyl)aniline (CID 144876665) is 2-(1,2,3-trimethylcyclopropyl)aniline.
What is the SMILES notation for 2-(1,2,3-trimethylcyclopropyl)aniline?
The canonical SMILES for 2-(1,2,3-trimethylcyclopropyl)aniline is CC1C(C)C1(C)c1ccccc1N.
What is the InChIKey of 2-(1,2,3-trimethylcyclopropyl)aniline?
The InChIKey is BORSZAJHDDAKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-9(2)12(8,3)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3.
What are the key properties of 2-(1,2,3-trimethylcyclopropyl)aniline?
2-(1,2,3-trimethylcyclopropyl)aniline has a molecular weight of 175.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3-trimethylcyclopropyl)aniline is sourced from PubChem (CID 144876665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).