3,3,3-trifluoro-N-phenylmethoxypropan-1-amine

C10H12F3NO — CID 64974455

IUPAC3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
SMILESFC(F)(F)CCNOCc1ccccc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-7-14-15-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyXQRQHDKNCLSXPS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.66
Rot. Bonds5

About 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine

3,3,3-trifluoro-N-phenylmethoxypropan-1-amine (PubChem CID 64974455) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
PubChem CID64974455
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
SMILESFC(F)(F)CCNOCc1ccccc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-7-14-15-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyXQRQHDKNCLSXPS-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
CID 10522538
4-bromo-N-phenylmethoxybutan-1-amine
CID 71377323
2,2-difluoro-N-phenylmethoxyethanamine
CID 64974244
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol
CID 130599420
3-methoxy-N-phenylmethoxypropan-1-amine
CID 64974237
2-[2-(phenylmethoxyamino)ethoxy]ethanol
CID 64974239
bis(1,1,4,4,4-pentafluorobutyl)-bis(phenylmethoxy)stannane
CID 87372428
(phenylmethoxyamino)urea
CID 67928507
4-(phenylmethoxyamino)butanoic acid;hydrochloride
CID 139029466
4-[2-(phenylmethoxyamino)ethyl]-1-(trifluoromethyl)cyclohexa-2,4-dien-1-ol;hydrochloride
CID 87855997
2-methoxy-2-methyl-N-phenylmethoxypropan-1-amine
CID 130611916

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine (CID 64974455) is 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine is FC(F)(F)CCNOCc1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine?
The InChIKey is XQRQHDKNCLSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)6-7-14-15-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2.
What are the key properties of 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine?
3,3,3-trifluoro-N-phenylmethoxypropan-1-amine has a molecular weight of 219.21 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-phenylmethoxypropan-1-amine is sourced from PubChem (CID 64974455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).