6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline

C13H19NO — CID 122544062

IUPAC6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline
SMILESCOC1=C(C(C)C)CC2NCC=CC2=C1
InChIInChI=1S/C13H19NO/c1-9(2)11-8-12-10(5-4-6-14-12)7-13(11)15-3/h4-5,7,9,12,14H,6,8H2,1-3H3
InChIKeyHYIVNOUGZIAFQD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.40
Rot. Bonds2

About 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline

6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline (PubChem CID 122544062) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline
PubChem CID122544062
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline
SMILESCOC1=C(C(C)C)CC2NCC=CC2=C1
InChIInChI=1S/C13H19NO/c1-9(2)11-8-12-10(5-4-6-14-12)7-13(11)15-3/h4-5,7,9,12,14H,6,8H2,1-3H3
InChIKeyHYIVNOUGZIAFQD-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropan-1-amine
CID 169112958
2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 59686728
2-Methoxy-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
CID 70374204
2-Methoxy-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
CID 70374316
2-Methoxy-10-prop-2-enyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-triene
CID 70374354
10-Methoxy-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinoline
CID 70486099
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 118245174
3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine
CID 123227496
4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one
CID 123299008
4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine
CID 123982386
2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 135219146
2-[(1S)-4-methoxycyclohexa-2,4-dien-1-yl]pyrrolidine
CID 141176617

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline?
The IUPAC name of 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline (CID 122544062) is 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline.
What is the SMILES notation for 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline?
The canonical SMILES for 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline is COC1=C(C(C)C)CC2NCC=CC2=C1.
What is the InChIKey of 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline?
The InChIKey is HYIVNOUGZIAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)11-8-12-10(5-4-6-14-12)7-13(11)15-3/h4-5,7,9,12,14H,6,8H2,1-3H3.
What are the key properties of 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline?
6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline has a molecular weight of 205.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline is sourced from PubChem (CID 122544062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).