1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine

C18H21ClN2 — CID 61416936

IUPAC1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H21ClN2/c1-21(12-14-4-2-6-17(19)11-14)13-15-7-8-18-16(10-15)5-3-9-20-18/h2,4,6-8,10-11,20H,3,5,9,12-13H2,1H3
InChIKeyPSMRLDVTHHJJRI-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.33
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine

1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine (PubChem CID 61416936) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
PubChem CID61416936
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H21ClN2/c1-21(12-14-4-2-6-17(19)11-14)13-15-7-8-18-16(10-15)5-3-9-20-18/h2,4,6-8,10-11,20H,3,5,9,12-13H2,1H3
InChIKeyPSMRLDVTHHJJRI-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 61411757
1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 62861548
1-(2,3-dihydro-1H-indol-5-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 43563498
N-methyl-2-propan-2-yloxy-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 81056760
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-1-amine
CID 43269701
1-(2,3-dihydro-1H-indol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 43527635
N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 63705707
N-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cyclopentanamine
CID 43541283
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 79491740
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-ethylethanamine
CID 22898575

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine (CID 61416936) is 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine is CN(Cc1cccc(Cl)c1)Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The InChIKey is PSMRLDVTHHJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-21(12-14-4-2-6-17(19)11-14)13-15-7-8-18-16(10-15)5-3-9-20-18/h2,4,6-8,10-11,20H,3,5,9,12-13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine has a molecular weight of 300.83 g/mol, XLogP of 4.33, 4 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-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine is sourced from PubChem (CID 61416936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).