(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C18H22N2O — CID 79731976

IUPAC(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCCOc1cccc(C(N)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H22N2O/c1-2-21-15-9-3-7-14(12-15)17(19)16-10-4-6-13-8-5-11-20-18(13)16/h3,5,7-9,11-12,16-17H,2,4,6,10,19H2,1H3
InChIKeyKWMPUDWOYDEZOU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.60
Rot. Bonds4

About (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 79731976) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID79731976
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCCOc1cccc(C(N)C2CCCc3cccnc32)c1
InChIInChI=1S/C18H22N2O/c1-2-21-15-9-3-7-14(12-15)17(19)16-10-4-6-13-8-5-11-20-18(13)16/h3,5,7-9,11-12,16-17H,2,4,6,10,19H2,1H3
InChIKeyKWMPUDWOYDEZOU-UHFFFAOYSA-N
XLogP3.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine with MolForge

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Related Compounds

(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
(2-methyl-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106755570
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79746303
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613
2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 116759628
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-fluorophenyl)methanamine
CID 79745535
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 79731976) is (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is CCOc1cccc(C(N)C2CCCc3cccnc32)c1.
What is the InChIKey of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is KWMPUDWOYDEZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-21-15-9-3-7-14(12-15)17(19)16-10-4-6-13-8-5-11-20-18(13)16/h3,5,7-9,11-12,16-17H,2,4,6,10,19H2,1H3.
What are the key properties of (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 282.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 79731976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).