2-(3-aminopropyl)-4-(trifluoromethoxy)aniline

C10H13F3N2O — CID 170867746

IUPAC2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
SMILESNCCCc1cc(OC(F)(F)F)ccc1N
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)16-8-3-4-9(15)7(6-8)2-1-5-14/h3-4,6H,1-2,5,14-15H2
InChIKeyDUXRPVTVNONYJV-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline

2-(3-aminopropyl)-4-(trifluoromethoxy)aniline (PubChem CID 170867746) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
PubChem CID170867746
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
SMILESNCCCc1cc(OC(F)(F)F)ccc1N
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)16-8-3-4-9(15)7(6-8)2-1-5-14/h3-4,6H,1-2,5,14-15H2
InChIKeyDUXRPVTVNONYJV-UHFFFAOYSA-N
XLogP2.06
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-4-(trifluoromethoxy)aniline
CID 119013247
2-[3-(4-methylpiperazin-1-yl)propyl]-4-(trifluoromethoxy)aniline
CID 170863398
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
1-(3-chloropropyl)-2-fluoro-4-(trifluoromethoxy)benzene
CID 118813230
2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline
CID 169386987
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
1-bromo-2-(3-bromopropyl)-4-(trifluoromethoxy)benzene
CID 118800457
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
CID 89494915
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
CID 113497382
1-N-[[2-amino-5-(trifluoromethoxy)phenyl]methoxymethyl]-1-N',1-N'-dimethylpropane-1,1-diamine
CID 162548667

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline (CID 170867746) is 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline is NCCCc1cc(OC(F)(F)F)ccc1N.
What is the InChIKey of 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline?
The InChIKey is DUXRPVTVNONYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)16-8-3-4-9(15)7(6-8)2-1-5-14/h3-4,6H,1-2,5,14-15H2.
What are the key properties of 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline?
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline has a molecular weight of 234.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 170867746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).