3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one

C17H18FNO2 — CID 117463633

IUPAC3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
SMILESCc1cc(C(=O)CCN)cc(F)c1OCc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12-9-14(16(20)7-8-19)10-15(18)17(12)21-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,19H2,1H3
InChIKeyJFSCKWCNWAXXSR-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.24
Rot. Bonds6

About 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one

3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one (PubChem CID 117463633) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
PubChem CID117463633
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
SMILESCc1cc(C(=O)CCN)cc(F)c1OCc1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12-9-14(16(20)7-8-19)10-15(18)17(12)21-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,19H2,1H3
InChIKeyJFSCKWCNWAXXSR-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117484065
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293
4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorobenzoic acid
CID 79880846
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
ethyl 3,5-difluoro-2-iodo-4-phenylmethoxybenzoate
CID 137378527

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one (CID 117463633) is 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one is Cc1cc(C(=O)CCN)cc(F)c1OCc1ccccc1.
What is the InChIKey of 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is JFSCKWCNWAXXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-9-14(16(20)7-8-19)10-15(18)17(12)21-11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11,19H2,1H3.
What are the key properties of 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one?
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 287.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 117463633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).