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

C11H14FNO — CID 117285338

IUPAC(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
SMILESCOc1cc(/C=C/CN)cc(C)c1F
InChIInChI=1S/C11H14FNO/c1-8-6-9(4-3-5-13)7-10(14-2)11(8)12/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyLUNTUXQTFDOHIF-ONEGZZNKSA-N
MW195.24 g/mol
LogP2.11
Rot. Bonds3

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

(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine (PubChem CID 117285338) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
PubChem CID117285338
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
SMILESCOc1cc(/C=C/CN)cc(C)c1F
InChIInChI=1S/C11H14FNO/c1-8-6-9(4-3-5-13)7-10(14-2)11(8)12/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyLUNTUXQTFDOHIF-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

4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
(E)-3-(3-bromo-4-fluoro-5-methylphenyl)prop-2-en-1-amine
CID 117361697
(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
(E)-3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117323427
(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine
CID 117308381
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336
(E)-3-[3-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359380
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
CID 117369569
5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
CID 169477157
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
CID 117279410

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine (CID 117285338) is (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine is COc1cc(/C=C/CN)cc(C)c1F.
What is the InChIKey of (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine?
The InChIKey is LUNTUXQTFDOHIF-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-6-9(4-3-5-13)7-10(14-2)11(8)12/h3-4,6-7H,5,13H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine?
(E)-3-(4-fluoro-3-methoxy-5-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-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117285338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).