2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol

C12H14F3NO — CID 117364496

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol
SMILESCC(N)C1(c2ccc(C(F)(F)F)cc2O)CC1
InChIInChI=1S/C12H14F3NO/c1-7(16)11(4-5-11)9-3-2-8(6-10(9)17)12(13,14)15/h2-3,6-7,17H,4-5,16H2,1H3
InChIKeyYGFOKKOEFHZBQY-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.79
Rot. Bonds2

About 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol

2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol (PubChem CID 117364496) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol
PubChem CID117364496
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol
SMILESCC(N)C1(c2ccc(C(F)(F)F)cc2O)CC1
InChIInChI=1S/C12H14F3NO/c1-7(16)11(4-5-11)9-3-2-8(6-10(9)17)12(13,14)15/h2-3,6-7,17H,4-5,16H2,1H3
InChIKeyYGFOKKOEFHZBQY-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
1-[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117118415
2-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 117333690
1-[1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclopropyl]ethanamine
CID 117463445
1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine
CID 117424154
4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117354606
1-[1-(2-bromo-4-methylphenyl)cyclopropyl]ethanamine
CID 117388136
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol (CID 117364496) is 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol is CC(N)C1(c2ccc(C(F)(F)F)cc2O)CC1.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol?
The InChIKey is YGFOKKOEFHZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7(16)11(4-5-11)9-3-2-8(6-10(9)17)12(13,14)15/h2-3,6-7,17H,4-5,16H2,1H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol?
2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol has a molecular weight of 245.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117364496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).