N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine

C19H22FNO — CID 57425834

IUPACN-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine
SMILESFC1C(COCc2ccccc2)CC1NCc1ccccc1
InChIInChI=1S/C19H22FNO/c20-19-17(14-22-13-16-9-5-2-6-10-16)11-18(19)21-12-15-7-3-1-4-8-15/h1-10,17-19,21H,11-14H2
InChIKeyZSSXYODJYCUMID-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.72
Rot. Bonds7

About N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine

N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine (PubChem CID 57425834) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine
PubChem CID57425834
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC NameN-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine
SMILESFC1C(COCc2ccccc2)CC1NCc1ccccc1
InChIInChI=1S/C19H22FNO/c20-19-17(14-22-13-16-9-5-2-6-10-16)11-18(19)21-12-15-7-3-1-4-8-15/h1-10,17-19,21H,11-14H2
InChIKeyZSSXYODJYCUMID-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
CID 135036909
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid
CID 102492755
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
5-fluoro-3-[(1S,2R,3R)-2-fluoro-3-(phenylmethoxymethyl)cyclobutyl]-1H-pyrimidine-2,4-dione
CID 66739544
(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 91316153

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine?
The IUPAC name of N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine (CID 57425834) is N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine.
What is the SMILES notation for N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine?
The canonical SMILES for N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine is FC1C(COCc2ccccc2)CC1NCc1ccccc1.
What is the InChIKey of N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine?
The InChIKey is ZSSXYODJYCUMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c20-19-17(14-22-13-16-9-5-2-6-10-16)11-18(19)21-12-15-7-3-1-4-8-15/h1-10,17-19,21H,11-14H2.
What are the key properties of N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine?
N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine has a molecular weight of 299.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-amine is sourced from PubChem (CID 57425834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).