1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine

C16H18FNO — CID 117402181

IUPAC1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
SMILESCc1cc(C(C)N)cc(F)c1OCc1ccccc1
InChIInChI=1S/C16H18FNO/c1-11-8-14(12(2)18)9-15(17)16(11)19-10-13-6-4-3-5-7-13/h3-9,12H,10,18H2,1-2H3
InChIKeyMNXPJRJQJNZNJA-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.73
Rot. Bonds4

About 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine

1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine (PubChem CID 117402181) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
PubChem CID117402181
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
SMILESCc1cc(C(C)N)cc(F)c1OCc1ccccc1
InChIInChI=1S/C16H18FNO/c1-11-8-14(12(2)18)9-15(17)16(11)19-10-13-6-4-3-5-7-13/h3-9,12H,10,18H2,1-2H3
InChIKeyMNXPJRJQJNZNJA-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-fluoroethanamine
CID 171214379
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine
CID 171244432
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214381
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171234012
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312680
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
3-(3,5-dimethyl-4-phenylmethoxyphenyl)butanal
CID 117453947
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine (CID 117402181) is 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine is Cc1cc(C(C)N)cc(F)c1OCc1ccccc1.
What is the InChIKey of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine?
The InChIKey is MNXPJRJQJNZNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-8-14(12(2)18)9-15(17)16(11)19-10-13-6-4-3-5-7-13/h3-9,12H,10,18H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine?
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 117402181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).