(2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone

C14H15NO2 — CID 155015222

IUPAC(2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone
SMILESCOC1C=CC(C(=O)c2ccccc2)=C(N)C1
InChIInChI=1S/C14H15NO2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-8,11H,9,15H2,1H3
InChIKeyIZJNJTWNWIWJPA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.06
Rot. Bonds3

About (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone

(2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone (PubChem CID 155015222) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone
PubChem CID155015222
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone
SMILESCOC1C=CC(C(=O)c2ccccc2)=C(N)C1
InChIInChI=1S/C14H15NO2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-8,11H,9,15H2,1H3
InChIKeyIZJNJTWNWIWJPA-UHFFFAOYSA-N
XLogP2.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone?
The IUPAC name of (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone (CID 155015222) is (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone?
The canonical SMILES for (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone is COC1C=CC(C(=O)c2ccccc2)=C(N)C1.
What is the InChIKey of (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone?
The InChIKey is IZJNJTWNWIWJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-8,11H,9,15H2,1H3.
What are the key properties of (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone?
(2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone has a molecular weight of 229.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxycyclohexa-1,5-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 155015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).