4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

C18H29FN2 — CID 63631090

IUPAC4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C18H29FN2/c1-18(2,3)20-12-15-9-10-17(16(19)11-15)21(4)13-14-7-5-6-8-14/h9-11,14,20H,5-8,12-13H2,1-4H3
InChIKeyOOSXLBYNLBYIHD-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.34
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (PubChem CID 63631090) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
PubChem CID63631090
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C18H29FN2/c1-18(2,3)20-12-15-9-10-17(16(19)11-15)21(4)13-14-7-5-6-8-14/h9-11,14,20H,5-8,12-13H2,1-4H3
InChIKeyOOSXLBYNLBYIHD-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63059542
N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 62860466
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700770
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 63657128
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopentylmethyl)-N-methylaniline
CID 114851335
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (CID 63631090) is 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is CN(CC1CCCC1)c1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The InChIKey is OOSXLBYNLBYIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-18(2,3)20-12-15-9-10-17(16(19)11-15)21(4)13-14-7-5-6-8-14/h9-11,14,20H,5-8,12-13H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline has a molecular weight of 292.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 63631090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).