[(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine

C9H15NO — CID 162691106

IUPAC[(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCOC1=CC[C@@](C)(CN)C=C1
InChIInChI=1S/C9H15NO/c1-9(7-10)5-3-8(11-2)4-6-9/h3-5H,6-7,10H2,1-2H3/t9-/m0/s1
InChIKeyIVQOIEAPLIWVAG-VIFPVBQESA-N
MW153.22 g/mol
LogP1.44
Rot. Bonds2

About [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine

[(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 162691106) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine
PubChem CID162691106
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCOC1=CC[C@@](C)(CN)C=C1
InChIInChI=1S/C9H15NO/c1-9(7-10)5-3-8(11-2)4-6-9/h3-5H,6-7,10H2,1-2H3/t9-/m0/s1
InChIKeyIVQOIEAPLIWVAG-VIFPVBQESA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67926727
2-Ethyl-4-methoxy-2-methylanilinium bromide
CID 129704265
(1-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 67613783
1-(Aminomethyl)-4-methoxycyclohexa-2,4-diene-1-carbonitrile
CID 67926707
(4,5-Dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 67926713
1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
(4-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 68095843
(1,4-Dimethoxycyclohexa-2,4-dien-1-yl)methanamine
CID 68296157
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]methanamine
CID 89316193
(4-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 89671964
2-(3-Methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
CID 90818419

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine (CID 162691106) is [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine is COC1=CC[C@@](C)(CN)C=C1.
What is the InChIKey of [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is IVQOIEAPLIWVAG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-9(7-10)5-3-8(11-2)4-6-9/h3-5H,6-7,10H2,1-2H3/t9-/m0/s1.
What are the key properties of [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine?
[(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 153.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-methoxy-1-methylcyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 162691106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).