3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol

C16H16F3NO — CID 170875067

IUPAC3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
SMILESNC(CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(20)9-10-21/h1-8,15,21H,9-10,20H2
InChIKeyTTYAOVXKHUMWOU-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.75
Rot. Bonds4

About 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol

3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol (PubChem CID 170875067) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
PubChem CID170875067
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
SMILESNC(CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(20)9-10-21/h1-8,15,21H,9-10,20H2
InChIKeyTTYAOVXKHUMWOU-UHFFFAOYSA-N
XLogP3.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 171231171
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575
(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
CID 171207279
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The IUPAC name of 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol (CID 170875067) is 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol is NC(CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The InChIKey is TTYAOVXKHUMWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-7-5-12(6-8-14)11-1-3-13(4-2-11)15(20)9-10-21/h1-8,15,21H,9-10,20H2.
What are the key properties of 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol is sourced from PubChem (CID 170875067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).