1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C18H21ClN2 — CID 106858088

IUPAC1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1ccc(C)cc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C18H21ClN2/c1-12-8-9-14(16(19)11-12)18(20-2)15-7-3-5-13-6-4-10-21-17(13)15/h4,6,8-11,15,18,20H,3,5,7H2,1-2H3
InChIKeyTZUILJKNWOHUJE-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.42
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 106858088) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID106858088
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1ccc(C)cc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C18H21ClN2/c1-12-8-9-14(16(19)11-12)18(20-2)15-7-3-5-13-6-4-10-21-17(13)15/h4,6,8-11,15,18,20H,3,5,7H2,1-2H3
InChIKeyTZUILJKNWOHUJE-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164715
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 107946281
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748499
[(2-chloro-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
CID 105215470
1-(2-bromo-4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107994272
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007411
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
N-methyl-1-(3-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007432
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164771
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748410

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 106858088) is 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is CNC(c1ccc(C)cc1Cl)C1CCCc2cccnc21.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is TZUILJKNWOHUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-12-8-9-14(16(19)11-12)18(20-2)15-7-3-5-13-6-4-10-21-17(13)15/h4,6,8-11,15,18,20H,3,5,7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 300.83 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 106858088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).