N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

C14H23NO3 — CID 117044084

IUPACN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CN(C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-10(2)15(3)9-11-7-12(16-4)14(18-6)13(8-11)17-5/h7-8,10H,9H2,1-6H3
InChIKeyYUTXBVWMRKNVTH-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 117044084) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID117044084
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CN(C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-10(2)15(3)9-11-7-12(16-4)14(18-6)13(8-11)17-5/h7-8,10H,9H2,1-6H3
InChIKeyYUTXBVWMRKNVTH-UHFFFAOYSA-N
XLogP2.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.55
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-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-amine
CID 121004838
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (CID 117044084) is N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is COc1cc(CN(C)C(C)C)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is YUTXBVWMRKNVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)15(3)9-11-7-12(16-4)14(18-6)13(8-11)17-5/h7-8,10H,9H2,1-6H3.
What are the key properties of N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.55, 6 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]propan-2-amine is sourced from PubChem (CID 117044084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).