1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine

C18H20F3NO — CID 175392263

IUPAC1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine
SMILESCC(Cc1cccc(OCc2ccccc2)c1)NC(F)C(F)F
InChIInChI=1S/C18H20F3NO/c1-13(22-18(21)17(19)20)10-15-8-5-9-16(11-15)23-12-14-6-3-2-4-7-14/h2-9,11,13,17-18,22H,10,12H2,1H3
InChIKeyRIYHLGYYAQLTMZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.35
Rot. Bonds8

About 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine

1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine (PubChem CID 175392263) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine
PubChem CID175392263
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine
SMILESCC(Cc1cccc(OCc2ccccc2)c1)NC(F)C(F)F
InChIInChI=1S/C18H20F3NO/c1-13(22-18(21)17(19)20)10-15-8-5-9-16(11-15)23-12-14-6-3-2-4-7-14/h2-9,11,13,17-18,22H,10,12H2,1H3
InChIKeyRIYHLGYYAQLTMZ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1,2,2-trifluoroethylamino)propyl]phenol
CID 175392255
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175392250
4-cyclopropyl-N-[(2R)-1-(3-phenylmethoxyphenyl)propan-2-yl]aniline;hydrochloride
CID 140941375
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
CID 110185374
1-phenylmethoxy-3-propylbenzene
CID 58977798
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine (CID 175392263) is 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine is CC(Cc1cccc(OCc2ccccc2)c1)NC(F)C(F)F.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is RIYHLGYYAQLTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-13(22-18(21)17(19)20)10-15-8-5-9-16(11-15)23-12-14-6-3-2-4-7-14/h2-9,11,13,17-18,22H,10,12H2,1H3.
What are the key properties of 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine?
1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 323.36 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 175392263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).