N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine

C15H25NO3 — CID 3537775

IUPACN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(C)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-7-8-16(2)11-12-9-13(17-3)15(19-5)14(10-12)18-4/h9-10H,6-8,11H2,1-5H3
InChIKeyLXWFMMZBGPQRAS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.94
Rot. Bonds8

About N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine

N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine (PubChem CID 3537775) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
PubChem CID3537775
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(C)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-7-8-16(2)11-12-9-13(17-3)15(19-5)14(10-12)18-4/h9-10H,6-8,11H2,1-5H3
InChIKeyLXWFMMZBGPQRAS-UHFFFAOYSA-N
XLogP2.94
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
CID 2845586
heptyl 2-[2-[(2-heptoxy-2-oxoethyl)-[(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetate
CID 10604988
2-methoxy-4-[[methyl(pentyl)amino]methyl]benzoic acid
CID 106793474
N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]hexadecane-1-sulfonamide
CID 121392292
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
CID 84746234
N-[3,3-bis(4-fluorophenyl)propyl]-N,N'-dimethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 602534
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
1-butyl-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111159352
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine (CID 3537775) is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine is CCCCN(C)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine?
The InChIKey is LXWFMMZBGPQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-7-8-16(2)11-12-9-13(17-3)15(19-5)14(10-12)18-4/h9-10H,6-8,11H2,1-5H3.
What are the key properties of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine?
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 3537775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).