2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine

C14H23NO — CID 91537329

IUPAC2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine
SMILESCOC1=C(C=C(C)C)C(C)CC(CCN)=C1
InChIInChI=1S/C14H23NO/c1-10(2)7-13-11(3)8-12(5-6-15)9-14(13)16-4/h7,9,11H,5-6,8,15H2,1-4H3
InChIKeyFNZXFIXWKWLFCL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.17
Rot. Bonds4

About 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine

2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine (PubChem CID 91537329) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine
PubChem CID91537329
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine
SMILESCOC1=C(C=C(C)C)C(C)CC(CCN)=C1
InChIInChI=1S/C14H23NO/c1-10(2)7-13-11(3)8-12(5-6-15)9-14(13)16-4/h7,9,11H,5-6,8,15H2,1-4H3
InChIKeyFNZXFIXWKWLFCL-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(Difluoromethoxy)-5,6-dimethylcyclohexa-1,3-dien-1-yl]butan-1-amine
CID 134389895
[4-Methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 144367367
2-(4-Methoxy-7-bicyclo[4.2.0]octa-3,5-dienylidene)ethanamine
CID 54284065
[6-(3-Aminopropyl)-3-methoxycyclohexa-2,4-dien-1-ylidene]methanone
CID 88785282
(2,4-Dimethoxy-5-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89121365
6-Butyl-7,8-dimethoxy-5-methyldeca-6,8-dien-1-amine
CID 91476008
3-Methoxy-4-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 118242317
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 118245174
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)propan-2-amine
CID 118245185
[(3Z,5E)-5-methoxy-4-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
CID 118612576
[(3Z,5E)-5-methoxy-6-methyl-2-methylidenecyclodeca-3,5-dien-1-yl]methanamine
CID 118612611
2-(7-methoxy-8a-methyl-4aH-naphthalen-1-yl)ethanamine
CID 121247847

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine?
The IUPAC name of 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine (CID 91537329) is 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine?
The canonical SMILES for 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine is COC1=C(C=C(C)C)C(C)CC(CCN)=C1.
What is the InChIKey of 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine?
The InChIKey is FNZXFIXWKWLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)7-13-11(3)8-12(5-6-15)9-14(13)16-4/h7,9,11H,5-6,8,15H2,1-4H3.
What are the key properties of 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine?
2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-5-methyl-4-(2-methylprop-1-enyl)cyclohexa-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 91537329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).