1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol

C11H14F3NO — CID 69251784

IUPAC1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
SMILESNCCCc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(16)9-5-3-8(4-6-9)2-1-7-15/h3-6,10,16H,1-2,7,15H2
InChIKeyDHYHLHRLJYVMKI-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.17
Rot. Bonds4

About 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol

1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol (PubChem CID 69251784) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
PubChem CID69251784
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
SMILESNCCCc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(16)9-5-3-8(4-6-9)2-1-7-15/h3-6,10,16H,1-2,7,15H2
InChIKeyDHYHLHRLJYVMKI-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
CID 84736382
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
3-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propan-1-amine
CID 84737494
3-[4-(1-fluoroethyl)phenyl]propan-1-amine
CID 84658143
3-[4-(2,2,2-trifluoroethyl)phenyl]propan-1-amine
CID 84682649
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
4-(3-aminopropyl)phenol
CID 4574248
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
2,2,2-trifluoro-1-(4-sulfanylphenyl)ethanol
CID 90402537
3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol
CID 54755019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol (CID 69251784) is 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol is NCCCc1ccc(C(O)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
The InChIKey is DHYHLHRLJYVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)10(16)9-5-3-8(4-6-9)2-1-7-15/h3-6,10,16H,1-2,7,15H2.
What are the key properties of 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol?
1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol has a molecular weight of 233.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 69251784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).