2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine

C9H15NO — CID 89473311

IUPAC2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
SMILESCO[C@H]1C=CC(CCN)=CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-4,9H,5-7,10H2,1H3/t9-/m0/s1
InChIKeyRZPNMFIYHGEJLB-VIFPVBQESA-N
MW153.22 g/mol
LogP1.24
Rot. Bonds3

About 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine

2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine (PubChem CID 89473311) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
PubChem CID89473311
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine
SMILESCO[C@H]1C=CC(CCN)=CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-4,9H,5-7,10H2,1H3/t9-/m0/s1
InChIKeyRZPNMFIYHGEJLB-VIFPVBQESA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine?
The IUPAC name of 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine (CID 89473311) is 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine.
What is the SMILES notation for 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine?
The canonical SMILES for 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine is CO[C@H]1C=CC(CCN)=CC1.
What is the InChIKey of 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine?
The InChIKey is RZPNMFIYHGEJLB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-4,9H,5-7,10H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine?
2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methoxycyclohexa-1,5-dien-1-yl]ethanamine is sourced from PubChem (CID 89473311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).