(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine

C11H13ClFN — CID 117304732

IUPAC(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine
SMILESCCc1cc(Cl)c(F)c(/C=C/CN)c1
InChIInChI=1S/C11H13ClFN/c1-2-8-6-9(4-3-5-14)11(13)10(12)7-8/h3-4,6-7H,2,5,14H2,1H3/b4-3+
InChIKeyKNWJIVVQPOBKOC-ONEGZZNKSA-N
MW213.68 g/mol
LogP3.01
Rot. Bonds3

About (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine

(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine (PubChem CID 117304732) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine
PubChem CID117304732
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine
SMILESCCc1cc(Cl)c(F)c(/C=C/CN)c1
InChIInChI=1S/C11H13ClFN/c1-2-8-6-9(4-3-5-14)11(13)10(12)7-8/h3-4,6-7H,2,5,14H2,1H3/b4-3+
InChIKeyKNWJIVVQPOBKOC-ONEGZZNKSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine
CID 117286859
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
(E)-3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117331527
(E)-3-(5-bromo-2-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 117415994
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929
(E)-3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117331523
(E)-3-(4-chloro-3-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 117307315
2-[(E)-3-aminoprop-1-enyl]-6-chloro-4-fluorophenol
CID 117290378
(E)-3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117392432
1-(3-chloro-5-ethyl-2-fluorophenyl)ethanone
CID 117289594
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
CID 117302321

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine (CID 117304732) is (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine is CCc1cc(Cl)c(F)c(/C=C/CN)c1.
What is the InChIKey of (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine?
The InChIKey is KNWJIVVQPOBKOC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-2-8-6-9(4-3-5-14)11(13)10(12)7-8/h3-4,6-7H,2,5,14H2,1H3/b4-3+.
What are the key properties of (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine?
(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 117304732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).