1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C17H19ClN2 — CID 79748499

IUPAC1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1cccc(Cl)c1)C1CCCc2cccnc21
InChIInChI=1S/C17H19ClN2/c1-19-16(13-6-2-8-14(18)11-13)15-9-3-5-12-7-4-10-20-17(12)15/h2,4,6-8,10-11,15-16,19H,3,5,9H2,1H3
InChIKeyZMELSSPMEBIXST-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.12
Rot. Bonds3

About 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 79748499) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID79748499
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1cccc(Cl)c1)C1CCCc2cccnc21
InChIInChI=1S/C17H19ClN2/c1-19-16(13-6-2-8-14(18)11-13)15-9-3-5-12-7-4-10-20-17(12)15/h2,4,6-8,10-11,15-16,19H,3,5,9H2,1H3
InChIKeyZMELSSPMEBIXST-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 107946281
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007411
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316
1-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748617
1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106858088
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
[2-(3-chlorophenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]hydrazine
CID 105195028
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
1-(2-bromo-4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107994272
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164771

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 79748499) is 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is CNC(c1cccc(Cl)c1)C1CCCc2cccnc21.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is ZMELSSPMEBIXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-19-16(13-6-2-8-14(18)11-13)15-9-3-5-12-7-4-10-20-17(12)15/h2,4,6-8,10-11,15-16,19H,3,5,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 286.81 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 79748499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).