2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine

C10H15NO — CID 142971168

IUPAC2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine
SMILESCOC1=CC=CC=C(CCN)C1
InChIInChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(8-10)6-7-11/h2-5H,6-8,11H2,1H3
InChIKeyCCDONAZSEYRJMW-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.75
Rot. Bonds3

About 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine

2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine (PubChem CID 142971168) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine
PubChem CID142971168
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine
SMILESCOC1=CC=CC=C(CCN)C1
InChIInChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(8-10)6-7-11/h2-5H,6-8,11H2,1H3
InChIKeyCCDONAZSEYRJMW-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-1H-inden-2-yl)ethanamine
CID 83829252
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
(1-methoxy-2H-pyridin-3-yl)methanamine
CID 143177898
5-chloro-1-methoxycyclohexa-1,3-diene
CID 22747502
2-(3,4,5,5-tetramethoxycyclohexa-1,3-dien-1-yl)ethanamine
CID 162461405
ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine
CID 143299864
2-(7-methoxy-3,4-dihydronaphthalen-2-yl)ethanamine
CID 83832198
2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
CID 117287338
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
(4-methoxycyclohepta-1,3,6-trien-1-yl)methanamine
CID 143367781
2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 117282550

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
The IUPAC name of 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine (CID 142971168) is 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
The canonical SMILES for 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine is COC1=CC=CC=C(CCN)C1.
What is the InChIKey of 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
The InChIKey is CCDONAZSEYRJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-10-5-3-2-4-9(8-10)6-7-11/h2-5H,6-8,11H2,1H3.
What are the key properties of 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine is sourced from PubChem (CID 142971168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).