3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol

C12H16F3NO — CID 113468933

IUPAC3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
SMILESCCN(CCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-16(8-3-9-17)11-6-4-10(5-7-11)12(13,14)15/h4-7,17H,2-3,8-9H2,1H3
InChIKeyHBCWMBKOSSOAMN-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.91
Rot. Bonds5

About 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol

3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol (PubChem CID 113468933) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
PubChem CID113468933
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
SMILESCCN(CCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-16(8-3-9-17)11-6-4-10(5-7-11)12(13,14)15/h4-7,17H,2-3,8-9H2,1H3
InChIKeyHBCWMBKOSSOAMN-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
CID 22734616
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
CID 67533016
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
N'-butyl-N'-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62649946
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethyl-4-(trifluoromethyl)aniline
CID 141180561
3-(4-amino-N,3-diethylanilino)propan-1-ol
CID 18004349
N,N-dihexyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]aniline
CID 102578784
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
3-(N-ethyl-4-methyl-3-nitroanilino)propan-1-ol
CID 113468956

Frequently Asked Questions

What is the IUPAC name of 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol?
The IUPAC name of 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol (CID 113468933) is 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol.
What is the SMILES notation for 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol?
The canonical SMILES for 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol is CCN(CCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol?
The InChIKey is HBCWMBKOSSOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-16(8-3-9-17)11-6-4-10(5-7-11)12(13,14)15/h4-7,17H,2-3,8-9H2,1H3.
What are the key properties of 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol?
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol has a molecular weight of 247.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol is sourced from PubChem (CID 113468933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).