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

C14H19NO — CID 115111068

IUPAC(E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine
SMILESCOCC1(c2cccc(/C=C/CN)c2)CC1
InChIInChI=1S/C14H19NO/c1-16-11-14(7-8-14)13-6-2-4-12(10-13)5-3-9-15/h2-6,10H,7-9,11,15H2,1H3/b5-3+
InChIKeyMBAFZDAGGCPQFO-HWKANZROSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds5

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

(E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine (PubChem CID 115111068) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine
PubChem CID115111068
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine
SMILESCOCC1(c2cccc(/C=C/CN)c2)CC1
InChIInChI=1S/C14H19NO/c1-16-11-14(7-8-14)13-6-2-4-12(10-13)5-3-9-15/h2-6,10H,7-9,11,15H2,1H3/b5-3+
InChIKeyMBAFZDAGGCPQFO-HWKANZROSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine (CID 115111068) is (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine is COCC1(c2cccc(/C=C/CN)c2)CC1.
What is the InChIKey of (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine?
The InChIKey is MBAFZDAGGCPQFO-HWKANZROSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-11-14(7-8-14)13-6-2-4-12(10-13)5-3-9-15/h2-6,10H,7-9,11,15H2,1H3/b5-3+.
What are the key properties of (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine?
(E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]prop-2-en-1-amine is sourced from PubChem (CID 115111068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).