N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline

C16H25FN2O — CID 63061084

IUPACN-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(N(C)C2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-19(14-5-3-4-6-14)16-8-7-13(11-15(16)17)12-18-9-10-20-2/h7-8,11,14,18H,3-6,9-10,12H2,1-2H3
InChIKeyURAMMQJIEAZDCF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.94
Rot. Bonds7

About N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline

N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 63061084) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID63061084
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(N(C)C2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-19(14-5-3-4-6-14)16-8-7-13(11-15(16)17)12-18-9-10-20-2/h7-8,11,14,18H,3-6,9-10,12H2,1-2H3
InChIKeyURAMMQJIEAZDCF-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749081
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79389708
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 107689221
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060260

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 63061084) is N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline is COCCNCc1ccc(N(C)C2CCCC2)c(F)c1.
What is the InChIKey of N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is URAMMQJIEAZDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-19(14-5-3-4-6-14)16-8-7-13(11-15(16)17)12-18-9-10-20-2/h7-8,11,14,18H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 280.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 63061084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).