3-[4-(trifluoromethoxy)phenyl]propan-1-amine

C10H12F3NO — CID 43445791

IUPAC3-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChIKeyNMMRPWQPYYIKRW-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.48
Rot. Bonds4

About 3-[4-(trifluoromethoxy)phenyl]propan-1-amine

3-[4-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 43445791) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID43445791
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChIKeyNMMRPWQPYYIKRW-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
5-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 174874438
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
CID 113497382
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
CID 84792717
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
CID 170878567
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
4-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butan-1-amine
CID 90405182
3-[4-(2,2,2-trifluoroethyl)phenyl]propan-1-amine
CID 84682649
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]propan-1-amine (CID 43445791) is 3-[4-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]propan-1-amine is NCCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is NMMRPWQPYYIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]propan-1-amine?
3-[4-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 219.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 43445791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).