N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline

C18H29FN2 — CID 63495939

IUPACN-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline
SMILESCN(CC1(CNC(C)(C)C)CCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-17(2,3)20-13-18(11-7-8-12-18)14-21(4)16-10-6-5-9-15(16)19/h5-6,9-10,20H,7-8,11-14H2,1-4H3
InChIKeyJEEVUNVIGOQUMC-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.21
Rot. Bonds5

About N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline

N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline (PubChem CID 63495939) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline
PubChem CID63495939
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline
SMILESCN(CC1(CNC(C)(C)C)CCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-17(2,3)20-13-18(11-7-8-12-18)14-21(4)16-10-6-5-9-15(16)19/h5-6,9-10,20H,7-8,11-14H2,1-4H3
InChIKeyJEEVUNVIGOQUMC-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63509068
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103049689
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403
[1-[(N-ethyl-2-fluoroanilino)methyl]cyclopentyl]methanol
CID 62265108
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62256687

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline (CID 63495939) is N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline is CN(CC1(CNC(C)(C)C)CCCC1)c1ccccc1F.
What is the InChIKey of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline?
The InChIKey is JEEVUNVIGOQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-17(2,3)20-13-18(11-7-8-12-18)14-21(4)16-10-6-5-9-15(16)19/h5-6,9-10,20H,7-8,11-14H2,1-4H3.
What are the key properties of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline?
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline has a molecular weight of 292.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 63495939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).