N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine

C20H27NO3 — CID 146255660

IUPACN-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(OC)c(CN(C)CCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H27NO3/c1-21(12-8-11-16-9-6-5-7-10-16)15-18-19(23-3)13-17(22-2)14-20(18)24-4/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3
InChIKeyZVMLRFFWORCCEJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.78
Rot. Bonds9

About N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine

N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 146255660) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID146255660
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(OC)c(CN(C)CCCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H27NO3/c1-21(12-8-11-16-9-6-5-7-10-16)15-18-19(23-3)13-17(22-2)14-20(18)24-4/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3
InChIKeyZVMLRFFWORCCEJ-UHFFFAOYSA-N
XLogP3.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 81146091
N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 55103553
3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
CID 115231000
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 3299087
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
CID 782861
2-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]ethanol
CID 66689165
methyl 2-[methyl(3-phenylpropyl)amino]acetate
CID 60697820
3-anthracen-9-yl-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 156612694
2,3-dimethoxy-7-[3-[methyl(3-phenylpropyl)amino]propyl]-5,6,8,9-tetrahydrobenzo[7]annulen-7-ol
CID 15622939
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
4-chloro-2-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 79582235

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine (CID 146255660) is N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine is COc1cc(OC)c(CN(C)CCCc2ccccc2)c(OC)c1.
What is the InChIKey of N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is ZVMLRFFWORCCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-21(12-8-11-16-9-6-5-7-10-16)15-18-19(23-3)13-17(22-2)14-20(18)24-4/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3.
What are the key properties of N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine?
N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 146255660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).