1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine

C17H20FNO — CID 114829606

IUPAC1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCCOc1ccccc1
InChIInChI=1S/C17H20FNO/c1-14(13-15-7-5-6-10-17(15)18)19-11-12-20-16-8-3-2-4-9-16/h2-10,14,19H,11-13H2,1H3
InChIKeyPDRRSFXZMMSSSY-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.43
Rot. Bonds7

About 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine

1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine (PubChem CID 114829606) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
PubChem CID114829606
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCCOc1ccccc1
InChIInChI=1S/C17H20FNO/c1-14(13-15-7-5-6-10-17(15)18)19-11-12-20-16-8-3-2-4-9-16/h2-10,14,19H,11-13H2,1H3
InChIKeyPDRRSFXZMMSSSY-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
CID 102869382
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
4-[3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 119109042
N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307321
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine (CID 114829606) is 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine is CC(Cc1ccccc1F)NCCOc1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine?
The InChIKey is PDRRSFXZMMSSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-14(13-15-7-5-6-10-17(15)18)19-11-12-20-16-8-3-2-4-9-16/h2-10,14,19H,11-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine?
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine is sourced from PubChem (CID 114829606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).