(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine

C14H19NO2 — CID 117338371

IUPAC(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1cccc(/C=C/CN)c1OC1CCC1
InChIInChI=1S/C14H19NO2/c1-16-13-9-2-5-11(6-4-10-15)14(13)17-12-7-3-8-12/h2,4-6,9,12H,3,7-8,10,15H2,1H3/b6-4+
InChIKeyZNYUBVARMNXZGW-GQCTYLIASA-N
MW233.31 g/mol
LogP2.60
Rot. Bonds5

About (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine

(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine (PubChem CID 117338371) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
PubChem CID117338371
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
SMILESCOc1cccc(/C=C/CN)c1OC1CCC1
InChIInChI=1S/C14H19NO2/c1-16-13-9-2-5-11(6-4-10-15)14(13)17-12-7-3-8-12/h2,4-6,9,12H,3,7-8,10,15H2,1H3/b6-4+
InChIKeyZNYUBVARMNXZGW-GQCTYLIASA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[3-methoxy-2-(thietan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117381934
(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117423212
(E)-3-[2-methoxy-3-(thiolan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117418040
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 87204181
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide
CID 91053667
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-iodochromen-4-one
CID 67405069
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine (CID 117338371) is (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine is COc1cccc(/C=C/CN)c1OC1CCC1.
What is the InChIKey of (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is ZNYUBVARMNXZGW-GQCTYLIASA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-13-9-2-5-11(6-4-10-15)14(13)17-12-7-3-8-12/h2,4-6,9,12H,3,7-8,10,15H2,1H3/b6-4+.
What are the key properties of (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine?
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117338371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).