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

C14H23NO3 — CID 4719122

IUPAC2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCC(C)C)c(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-10(2)8-15-9-11-6-7-12(16-3)14(18-5)13(11)17-4/h6-7,10,15H,8-9H2,1-5H3
InChIKeyWVMNPWWETMOMOG-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.46
Rot. Bonds7

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

2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 4719122) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID4719122
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCC(C)C)c(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-10(2)8-15-9-11-6-7-12(16-3)14(18-5)13(11)17-4/h6-7,10,15H,8-9H2,1-5H3
InChIKeyWVMNPWWETMOMOG-UHFFFAOYSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]hexan-1-amine
CID 79003454
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
2,2,3-trimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
CID 102610003
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
N'-methyl-N'-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 62635743
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
N-[(2,3,4-trimethoxyphenyl)methyl]but-2-yn-1-amine
CID 115866344
1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 45479130
3-propan-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17209007
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine (CID 4719122) is 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine is COc1ccc(CNCC(C)C)c(OC)c1OC.
What is the InChIKey of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is WVMNPWWETMOMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)8-15-9-11-6-7-12(16-3)14(18-5)13(11)17-4/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine?
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 4719122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).