2-(3-aminopropyl)-4-(trifluoromethyl)phenol

C10H12F3NO — CID 82262792

IUPAC2-(3-aminopropyl)-4-(trifluoromethyl)phenol
SMILESNCCCc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-3-4-9(15)7(6-8)2-1-5-14/h3-4,6,15H,1-2,5,14H2
InChIKeyFLBIYYAWFIVRQG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-aminopropyl)-4-(trifluoromethyl)phenol

2-(3-aminopropyl)-4-(trifluoromethyl)phenol (PubChem CID 82262792) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-(trifluoromethyl)phenol
PubChem CID82262792
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(3-aminopropyl)-4-(trifluoromethyl)phenol
SMILESNCCCc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C10H12F3NO/c11-10(12,13)8-3-4-9(15)7(6-8)2-1-5-14/h3-4,6,15H,1-2,5,14H2
InChIKeyFLBIYYAWFIVRQG-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115113362
2-(4-phenylpentyl)-4-(trifluoromethyl)phenol
CID 172602814
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 155925897
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
CID 73333008
4-(3-aminopropyl)-3-fluorobenzene-1,2-diol
CID 117280039
3-(3-aminopropyl)naphthalen-2-ol
CID 117290164

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(3-aminopropyl)-4-(trifluoromethyl)phenol (CID 82262792) is 2-(3-aminopropyl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(3-aminopropyl)-4-(trifluoromethyl)phenol is NCCCc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-(3-aminopropyl)-4-(trifluoromethyl)phenol?
The InChIKey is FLBIYYAWFIVRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)8-3-4-9(15)7(6-8)2-1-5-14/h3-4,6,15H,1-2,5,14H2.
What are the key properties of 2-(3-aminopropyl)-4-(trifluoromethyl)phenol?
2-(3-aminopropyl)-4-(trifluoromethyl)phenol has a molecular weight of 219.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 82262792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).