N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine

C18H24N2O2 — CID 131892899

IUPACN-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCOc1ccc(CN(C)C(C)c2ccncc2)c(OC)c1C
InChIInChI=1S/C18H24N2O2/c1-13-17(21-4)7-6-16(18(13)22-5)12-20(3)14(2)15-8-10-19-11-9-15/h6-11,14H,12H2,1-5H3
InChIKeyMMEMKCWQQVLTCH-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.60
Rot. Bonds6

About N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 131892899) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
PubChem CID131892899
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCOc1ccc(CN(C)C(C)c2ccncc2)c(OC)c1C
InChIInChI=1S/C18H24N2O2/c1-13-17(21-4)7-6-16(18(13)22-5)12-20(3)14(2)15-8-10-19-11-9-15/h6-11,14H,12H2,1-5H3
InChIKeyMMEMKCWQQVLTCH-UHFFFAOYSA-N
XLogP3.60
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 95122713
2-methoxy-6-[[methyl(1-pyridin-4-ylethyl)amino]methyl]phenol
CID 50955558
(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 95121409
2-(2,4-dimethoxy-3-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110769825
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194800
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
2-N,2-N-dimethyl-6-[(1R)-1-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 40873251
4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-3-methoxyaniline
CID 107208402
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine (CID 131892899) is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine is COc1ccc(CN(C)C(C)c2ccncc2)c(OC)c1C.
What is the InChIKey of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is MMEMKCWQQVLTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-17(21-4)7-6-16(18(13)22-5)12-20(3)14(2)15-8-10-19-11-9-15/h6-11,14H,12H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine?
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 300.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 131892899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).