(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine

C17H18FNO — CID 117431293

IUPAC(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESCc1cc(/C=C/CN)cc(F)c1OCc1ccccc1
InChIInChI=1S/C17H18FNO/c1-13-10-15(8-5-9-19)11-16(18)17(13)20-12-14-6-3-2-4-7-14/h2-8,10-11H,9,12,19H2,1H3/b8-5+
InChIKeyHBBHOZNVNFGLIN-VMPITWQZSA-N
MW271.34 g/mol
LogP3.69
Rot. Bonds5

About (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine

(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine (PubChem CID 117431293) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
PubChem CID117431293
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
SMILESCc1cc(/C=C/CN)cc(F)c1OCc1ccccc1
InChIInChI=1S/C17H18FNO/c1-13-10-15(8-5-9-19)11-16(18)17(13)20-12-14-6-3-2-4-7-14/h2-8,10-11H,9,12,19H2,1H3/b8-5+
InChIKeyHBBHOZNVNFGLIN-VMPITWQZSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117422190
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide
CID 170876730
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117484065
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
benzyl N'-[(3,5-difluoro-4-phenylmethoxyphenyl)methylideneamino]carbamimidothioate
CID 168612184
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine (CID 117431293) is (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine is Cc1cc(/C=C/CN)cc(F)c1OCc1ccccc1.
What is the InChIKey of (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
The InChIKey is HBBHOZNVNFGLIN-VMPITWQZSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13-10-15(8-5-9-19)11-16(18)17(13)20-12-14-6-3-2-4-7-14/h2-8,10-11H,9,12,19H2,1H3/b8-5+.
What are the key properties of (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine?
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine has a molecular weight of 271.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117431293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).