4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline

C17H27FN2 — CID 63493700

IUPAC4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
SMILESCCCNCC1(CN(C)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H27FN2/c1-3-12-19-13-17(10-4-5-11-17)14-20(2)16-8-6-15(18)7-9-16/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyWLOUOHSRCHFZFS-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.82
Rot. Bonds7

About 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline

4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline (PubChem CID 63493700) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
PubChem CID63493700
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
SMILESCCCNCC1(CN(C)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C17H27FN2/c1-3-12-19-13-17(10-4-5-11-17)14-20(2)16-8-6-15(18)7-9-16/h6-9,19H,3-5,10-14H2,1-2H3
InChIKeyWLOUOHSRCHFZFS-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline (CID 63493700) is 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline is CCCNCC1(CN(C)c2ccc(F)cc2)CCCC1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
The InChIKey is WLOUOHSRCHFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-12-19-13-17(10-4-5-11-17)14-20(2)16-8-6-15(18)7-9-16/h6-9,19H,3-5,10-14H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline?
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline has a molecular weight of 278.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline is sourced from PubChem (CID 63493700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).