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

C13H17NO — CID 115111036

IUPAC(E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine
SMILESCOC1(c2cccc(/C=C/CN)c2)CC1
InChIInChI=1S/C13H17NO/c1-15-13(7-8-13)12-6-2-4-11(10-12)5-3-9-14/h2-6,10H,7-9,14H2,1H3/b5-3+
InChIKeyDSKRFALZSFNBLW-HWKANZROSA-N
MW203.28 g/mol
LogP2.29
Rot. Bonds4

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

(E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine (PubChem CID 115111036) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine
PubChem CID115111036
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine
SMILESCOC1(c2cccc(/C=C/CN)c2)CC1
InChIInChI=1S/C13H17NO/c1-15-13(7-8-13)12-6-2-4-11(10-12)5-3-9-14/h2-6,10H,7-9,14H2,1H3/b5-3+
InChIKeyDSKRFALZSFNBLW-HWKANZROSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.29
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-methoxycyclopropyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine (CID 115111036) is (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine is COC1(c2cccc(/C=C/CN)c2)CC1.
What is the InChIKey of (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine?
The InChIKey is DSKRFALZSFNBLW-HWKANZROSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-13(7-8-13)12-6-2-4-11(10-12)5-3-9-14/h2-6,10H,7-9,14H2,1H3/b5-3+.
What are the key properties of (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine?
(E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(1-methoxycyclopropyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 115111036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).