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

C12H15F3N2 — CID 113313720

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
SMILESNCC1(CNc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-8-11(7-16)5-6-11/h1-4,17H,5-8,16H2
InChIKeyNTXVNOSHIAFHTH-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.86
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline (PubChem CID 113313720) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
PubChem CID113313720
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
SMILESNCC1(CNc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-8-11(7-16)5-6-11/h1-4,17H,5-8,16H2
InChIKeyNTXVNOSHIAFHTH-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline
CID 115455854
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107304222
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylsulfonylaniline
CID 113313747
1-[[4-(trifluoromethyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115450323
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 62725893
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 115456909
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoro-4-methoxyaniline
CID 115243825
4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
CID 106298388
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclopropyl]methanol
CID 113313129
N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 62646483

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline (CID 113313720) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline is NCC1(CNc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline?
The InChIKey is NTXVNOSHIAFHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-8-11(7-16)5-6-11/h1-4,17H,5-8,16H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)aniline has a molecular weight of 244.26 g/mol, XLogP of 2.86, 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]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 113313720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).