4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline

C13H19FN2 — CID 63878885

IUPAC4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
SMILESCC1CC1CN(C)Cc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2/c1-9-5-10(9)7-16(2)8-11-6-12(14)3-4-13(11)15/h3-4,6,9-10H,5,7-8,15H2,1-2H3
InChIKeyJCHHSCRRSFBYJY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.50
Rot. Bonds4

About 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline

4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline (PubChem CID 63878885) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
PubChem CID63878885
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
SMILESCC1CC1CN(C)Cc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2/c1-9-5-10(9)7-16(2)8-11-6-12(14)3-4-13(11)15/h3-4,6,9-10H,5,7-8,15H2,1-2H3
InChIKeyJCHHSCRRSFBYJY-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.50
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

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 64768719
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine
CID 63865908
2-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63860369
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 55257844
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
[3-fluoro-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]boronic acid
CID 63865557
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776
2-fluoro-3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]benzenecarbothioamide
CID 107115599

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
The IUPAC name of 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline (CID 63878885) is 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
The canonical SMILES for 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline is CC1CC1CN(C)Cc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
The InChIKey is JCHHSCRRSFBYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-5-10(9)7-16(2)8-11-6-12(14)3-4-13(11)15/h3-4,6,9-10H,5,7-8,15H2,1-2H3.
What are the key properties of 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline?
4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline has a molecular weight of 222.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 63878885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).