2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline

C13H19FN2 — CID 81105780

IUPAC2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
SMILESNc1ccccc1CN(CCCF)C1CC1
InChIInChI=1S/C13H19FN2/c14-8-3-9-16(12-6-7-12)10-11-4-1-2-5-13(11)15/h1-2,4-5,12H,3,6-10,15H2
InChIKeyAURFZURABUPXKY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.59
Rot. Bonds6

About 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline

2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline (PubChem CID 81105780) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
PubChem CID81105780
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
SMILESNc1ccccc1CN(CCCF)C1CC1
InChIInChI=1S/C13H19FN2/c14-8-3-9-16(12-6-7-12)10-11-4-1-2-5-13(11)15/h1-2,4-5,12H,3,6-10,15H2
InChIKeyAURFZURABUPXKY-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
CID 112589927
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435
3-[(3-amino-2-fluorophenyl)methyl-cyclopropylamino]propanenitrile
CID 107347349
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649
2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline
CID 64738575
2-[[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]methyl]aniline
CID 112640948

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline (CID 81105780) is 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline is Nc1ccccc1CN(CCCF)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline?
The InChIKey is AURFZURABUPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-8-3-9-16(12-6-7-12)10-11-4-1-2-5-13(11)15/h1-2,4-5,12H,3,6-10,15H2.
What are the key properties of 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline?
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline has a molecular weight of 222.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline is sourced from PubChem (CID 81105780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).