(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine

C11H14ClNO — CID 117302308

IUPAC(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine
SMILESCOCc1cccc(Cl)c1/C=C/CN
InChIInChI=1S/C11H14ClNO/c1-14-8-9-4-2-6-11(12)10(9)5-3-7-13/h2-6H,7-8,13H2,1H3/b5-3+
InChIKeyFYDZRZFJDOSSOD-HWKANZROSA-N
MW211.69 g/mol
LogP2.46
Rot. Bonds4

About (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine

(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine (PubChem CID 117302308) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine
PubChem CID117302308
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine
SMILESCOCc1cccc(Cl)c1/C=C/CN
InChIInChI=1S/C11H14ClNO/c1-14-8-9-4-2-6-11(12)10(9)5-3-7-13/h2-6H,7-8,13H2,1H3/b5-3+
InChIKeyFYDZRZFJDOSSOD-HWKANZROSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine (CID 117302308) is (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine is COCc1cccc(Cl)c1/C=C/CN.
What is the InChIKey of (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine?
The InChIKey is FYDZRZFJDOSSOD-HWKANZROSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-8-9-4-2-6-11(12)10(9)5-3-7-13/h2-6H,7-8,13H2,1H3/b5-3+.
What are the key properties of (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine?
(E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-6-(methoxymethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117302308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).