N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline

C15H20F4N2 — CID 107303804

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline
SMILESCCN(c1ccc(C(F)(F)F)cc1F)C1CCCC1CN
InChIInChI=1S/C15H20F4N2/c1-2-21(13-5-3-4-10(13)9-20)14-7-6-11(8-12(14)16)15(17,18)19/h6-8,10,13H,2-5,9,20H2,1H3
InChIKeyVWVUNYBNGZWDQS-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 107303804) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID107303804
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline
SMILESCCN(c1ccc(C(F)(F)F)cc1F)C1CCCC1CN
InChIInChI=1S/C15H20F4N2/c1-2-21(13-5-3-4-10(13)9-20)14-7-6-11(8-12(14)16)15(17,18)19/h6-8,10,13H,2-5,9,20H2,1H3
InChIKeyVWVUNYBNGZWDQS-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
N-[2-(aminomethyl)cyclopentyl]-5-tert-butyl-N-ethylpyridin-2-amine
CID 107875127
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 107303774
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
CID 114894072
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-5-bromobenzonitrile
CID 114894077
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721
4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
CID 82789401
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
CID 81304710
N'-[2-bromo-4-(trifluoromethyl)phenyl]-N'-cyclobutylethane-1,2-diamine
CID 102874661
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 114045714

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline (CID 107303804) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline is CCN(c1ccc(C(F)(F)F)cc1F)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is VWVUNYBNGZWDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-2-21(13-5-3-4-10(13)9-20)14-7-6-11(8-12(14)16)15(17,18)19/h6-8,10,13H,2-5,9,20H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 304.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107303804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).