N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline

C12H16F3NO — CID 62648259

IUPACN-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
SMILESCCOCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-17-9-3-8-16-11-6-4-10(5-7-11)12(13,14)15/h4-7,16H,2-3,8-9H2,1H3
InChIKeyHQKAIFJSOABKOO-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.54
Rot. Bonds6

About N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline

N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline (PubChem CID 62648259) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
PubChem CID62648259
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
SMILESCCOCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-17-9-3-8-16-11-6-4-10(5-7-11)12(13,14)15/h4-7,16H,2-3,8-9H2,1H3
InChIKeyHQKAIFJSOABKOO-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
4-bromo-N-(3-ethoxypropyl)aniline
CID 65176368
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N-(12-ethoxydodecyl)aniline
CID 54545171
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491042
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline (CID 62648259) is N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline is CCOCCCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline?
The InChIKey is HQKAIFJSOABKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-17-9-3-8-16-11-6-4-10(5-7-11)12(13,14)15/h4-7,16H,2-3,8-9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline?
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline has a molecular weight of 247.26 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 62648259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).