4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline

C16H16F3NO — CID 143655981

IUPAC4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
SMILESCCCOc1ccc(N)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-2-9-21-15-8-7-13(20)10-14(15)11-3-5-12(6-4-11)16(17,18)19/h3-8,10H,2,9,20H2,1H3
InChIKeyGYZWAHYJYUNTMX-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.74
Rot. Bonds4

About 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline

4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 143655981) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
PubChem CID143655981
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
SMILESCCCOc1ccc(N)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-2-9-21-15-8-7-13(20)10-14(15)11-3-5-12(6-4-11)16(17,18)19/h3-8,10H,2,9,20H2,1H3
InChIKeyGYZWAHYJYUNTMX-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-2-fluoro-5-propoxyaniline
CID 175129917
4-propoxybenzene-1,3-diamine
CID 69462115
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
CID 83949751
N-[(4-tert-butylphenyl)methyl]-4-propoxy-3-[4-(trifluoromethoxy)phenyl]aniline
CID 59820876
2-(3,4-dipropoxyphenyl)-1,1,1-trifluoropropan-2-amine
CID 63897713
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
3-(3-aminophenyl)-4-ethoxyaniline
CID 68787828
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
3-[2-propoxy-5-(trifluoromethyl)phenyl]propane-1-thiol
CID 83921271

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline (CID 143655981) is 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline is CCCOc1ccc(N)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is GYZWAHYJYUNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-9-21-15-8-7-13(20)10-14(15)11-3-5-12(6-4-11)16(17,18)19/h3-8,10H,2,9,20H2,1H3.
What are the key properties of 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline?
4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 143655981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).