N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine

C18H19N3 — CID 63967659

IUPACN-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C18H19N3/c1-21(16-7-3-2-4-8-16)18(13-19)15-9-10-17-14(12-15)6-5-11-20-17/h2-12,18H,13,19H2,1H3
InChIKeyPWJJZXODWQAFBD-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine

N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine (PubChem CID 63967659) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
PubChem CID63967659
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccc2ncccc2c1
InChIInChI=1S/C18H19N3/c1-21(16-7-3-2-4-8-16)18(13-19)15-9-10-17-14(12-15)6-5-11-20-17/h2-12,18H,13,19H2,1H3
InChIKeyPWJJZXODWQAFBD-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 63969950
N,N-diethyl-1-quinolin-6-ylethane-1,2-diamine
CID 63968287
N-(2-ethoxyethyl)-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 81058699
N-methyl-N-(1-methylsulfanylbutan-2-yl)-1-quinolin-6-ylethane-1,2-diamine
CID 115985680
2-quinolin-6-ylpropan-1-amine
CID 79002101
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(3-bromo-4-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 105404647
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
1-quinolin-6-ylbutan-1-amine
CID 63095616
2-phenyl-3-quinolin-6-ylpropan-1-amine
CID 81222399

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine (CID 63967659) is N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine is CN(c1ccccc1)C(CN)c1ccc2ncccc2c1.
What is the InChIKey of N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine?
The InChIKey is PWJJZXODWQAFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21(16-7-3-2-4-8-16)18(13-19)15-9-10-17-14(12-15)6-5-11-20-17/h2-12,18H,13,19H2,1H3.
What are the key properties of N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine?
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine is sourced from PubChem (CID 63967659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).