N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine

C21H24N2O2 — CID 167837344

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(OC)c(OC)c1)Cc1cnc2ccccc2c1
InChIInChI=1S/C21H24N2O2/c1-4-23(14-16-9-10-20(24-2)21(12-16)25-3)15-17-11-18-7-5-6-8-19(18)22-13-17/h5-13H,4,14-15H2,1-3H3
InChIKeyISZCZNHBMGRWMH-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.27
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine

N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine (PubChem CID 167837344) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
PubChem CID167837344
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(OC)c(OC)c1)Cc1cnc2ccccc2c1
InChIInChI=1S/C21H24N2O2/c1-4-23(14-16-9-10-20(24-2)21(12-16)25-3)15-17-11-18-7-5-6-8-19(18)22-13-17/h5-13H,4,14-15H2,1-3H3
InChIKeyISZCZNHBMGRWMH-UHFFFAOYSA-N
XLogP4.27
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6,7-dimethoxy-4-(quinolin-3-ylmethyl)isoquinoline
CID 74539265
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 16608746
3-[[(3,4-dimethoxyphenyl)methyl-ethylamino]methyl]benzonitrile
CID 32661982
N-(1,3-benzoxazol-2-ylmethyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55409199
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(quinolin-3-ylmethyl)methanamine
CID 3700701
N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 134001017
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 47014060
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 133383927

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine (CID 167837344) is N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine is CCN(Cc1ccc(OC)c(OC)c1)Cc1cnc2ccccc2c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine?
The InChIKey is ISZCZNHBMGRWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-23(14-16-9-10-20(24-2)21(12-16)25-3)15-17-11-18-7-5-6-8-19(18)22-13-17/h5-13H,4,14-15H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine has a molecular weight of 336.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine is sourced from PubChem (CID 167837344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).