N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline

C16H22F2N2 — CID 63052431

IUPACN-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
SMILESCN(c1c(F)cc(CNC2CC2)cc1F)C1CCCC1
InChIInChI=1S/C16H22F2N2/c1-20(13-4-2-3-5-13)16-14(17)8-11(9-15(16)18)10-19-12-6-7-12/h8-9,12-13,19H,2-7,10H2,1H3
InChIKeyQBZYULCJRYKWPY-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.60
Rot. Bonds5

About N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline

N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline (PubChem CID 63052431) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
PubChem CID63052431
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC NameN-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
SMILESCN(c1c(F)cc(CNC2CC2)cc1F)C1CCCC1
InChIInChI=1S/C16H22F2N2/c1-20(13-4-2-3-5-13)16-14(17)8-11(9-15(16)18)10-19-12-6-7-12/h8-9,12-13,19H,2-7,10H2,1H3
InChIKeyQBZYULCJRYKWPY-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline 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

4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline
CID 107079915
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066
4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63051095
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol
CID 79390187
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline?
The IUPAC name of N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline (CID 63052431) is N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline.
What is the SMILES notation for N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline?
The canonical SMILES for N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline is CN(c1c(F)cc(CNC2CC2)cc1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline?
The InChIKey is QBZYULCJRYKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-20(13-4-2-3-5-13)16-14(17)8-11(9-15(16)18)10-19-12-6-7-12/h8-9,12-13,19H,2-7,10H2,1H3.
What are the key properties of N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline?
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline has a molecular weight of 280.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 63052431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).