4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline

C16H23FN2 — CID 63957048

IUPAC4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
SMILESCCN(CC1CC1)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H23FN2/c1-2-19(11-12-3-4-12)16-8-5-13(9-15(16)17)10-18-14-6-7-14/h5,8-9,12,14,18H,2-4,6-7,10-11H2,1H3
InChIKeyATFSBVJAMYRLLW-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.31
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline

4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline (PubChem CID 63957048) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
PubChem CID63957048
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
SMILESCCN(CC1CC1)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H23FN2/c1-2-19(11-12-3-4-12)16-8-5-13(9-15(16)17)10-18-14-6-7-14/h5,8-9,12,14,18H,2-4,6-7,10-11H2,1H3
InChIKeyATFSBVJAMYRLLW-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propylanilino]ethanol
CID 61424894
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
CID 113426115
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
CID 107399942
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586
4-[(cyclopropylamino)methyl]-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)aniline
CID 62122414

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline (CID 63957048) is 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline is CCN(CC1CC1)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline?
The InChIKey is ATFSBVJAMYRLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-2-19(11-12-3-4-12)16-8-5-13(9-15(16)17)10-18-14-6-7-14/h5,8-9,12,14,18H,2-4,6-7,10-11H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline?
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline has a molecular weight of 262.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 63957048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).