N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline

C12H14F4N2 — CID 107304222

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESNCC1(CNc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H14F4N2/c13-9-5-8(12(14,15)16)1-2-10(9)18-7-11(6-17)3-4-11/h1-2,5,18H,3-4,6-7,17H2
InChIKeyHNBOJRAETHAUGY-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.00
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline (PubChem CID 107304222) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
PubChem CID107304222
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
SMILESNCC1(CNc2ccc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C12H14F4N2/c13-9-5-8(12(14,15)16)1-2-10(9)18-7-11(6-17)3-4-11/h1-2,5,18H,3-4,6-7,17H2
InChIKeyHNBOJRAETHAUGY-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
CID 113313720
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107303372
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107304201
N-(4-chlorobutyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107304185
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-tert-butyl-2-methylaniline
CID 115245575
[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 81400977
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 115456909
5-[2-fluoro-4-(trifluoromethyl)anilino]pentanamide
CID 106238921
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
CID 103911705

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline (CID 107304222) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline is NCC1(CNc2ccc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
The InChIKey is HNBOJRAETHAUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-9-5-8(12(14,15)16)1-2-10(9)18-7-11(6-17)3-4-11/h1-2,5,18H,3-4,6-7,17H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline has a molecular weight of 262.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107304222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).