2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine

C10H17NO — CID 152779889

IUPAC2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCOC1(C)C=CC(CCN)=CC1
InChIInChI=1S/C10H17NO/c1-10(12-2)6-3-9(4-7-10)5-8-11/h3-4,6H,5,7-8,11H2,1-2H3
InChIKeyDFJRVPZODDBYNU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.63
Rot. Bonds3

About 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine

2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 152779889) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID152779889
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCOC1(C)C=CC(CCN)=CC1
InChIInChI=1S/C10H17NO/c1-10(12-2)6-3-9(4-7-10)5-8-11/h3-4,6H,5,7-8,11H2,1-2H3
InChIKeyDFJRVPZODDBYNU-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dimethoxyphenethylamine
CID 129844566
(3,6-Difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 150934801
2-[4-Methoxy-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 152736901
1-(1-Methoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 22011035
6-Methoxy-4,5,6-trimethylcyclohexa-2,4-dien-1-amine
CID 22065600
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
6-Methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 67028805
(1-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 67613783
4-(Aminomethyl)-1-methoxycyclohexa-2,4-dien-1-amine
CID 68141450
(1,4-Dimethoxycyclohexa-2,4-dien-1-yl)methanamine
CID 68296157
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
2-(1-Methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 89093675

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine (CID 152779889) is 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine is COC1(C)C=CC(CCN)=CC1.
What is the InChIKey of 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is DFJRVPZODDBYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(12-2)6-3-9(4-7-10)5-8-11/h3-4,6H,5,7-8,11H2,1-2H3.
What are the key properties of 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 152779889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).