(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine

C11H14FNO — CID 117285336

IUPAC(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
SMILESCOc1cc(/C=C/CN)c(F)cc1C
InChIInChI=1S/C11H14FNO/c1-8-6-10(12)9(4-3-5-13)7-11(8)14-2/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyPECZGFDGKIVLNY-ONEGZZNKSA-N
MW195.24 g/mol
LogP2.11
Rot. Bonds3

About (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine

(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine (PubChem CID 117285336) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
PubChem CID117285336
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
SMILESCOc1cc(/C=C/CN)c(F)cc1C
InChIInChI=1S/C11H14FNO/c1-8-6-10(12)9(4-3-5-13)7-11(8)14-2/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyPECZGFDGKIVLNY-ONEGZZNKSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(2-bromo-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117393264
(E)-3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)prop-2-en-1-amine
CID 117391619
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690
(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117306899
(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
(E)-3-[2-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359378
(E)-4-(4-methoxy-2,5-dimethylphenyl)but-3-en-1-amine
CID 82077157
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
(E)-3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117331523

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine (CID 117285336) is (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine is COc1cc(/C=C/CN)c(F)cc1C.
What is the InChIKey of (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine?
The InChIKey is PECZGFDGKIVLNY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-6-10(12)9(4-3-5-13)7-11(8)14-2/h3-4,6-7H,5,13H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine?
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117285336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).