N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine

C16H27NO3 — CID 43589032

IUPACN-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
SMILESCCCCCC(NC)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO3/c1-6-7-8-9-13(17-2)12-10-11-14(18-3)16(20-5)15(12)19-4/h10-11,13,17H,6-9H2,1-5H3
InChIKeyTYEYGHKEPWWBMW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.55
Rot. Bonds9

About N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine

N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine (PubChem CID 43589032) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
PubChem CID43589032
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
SMILESCCCCCC(NC)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO3/c1-6-7-8-9-13(17-2)12-10-11-14(18-3)16(20-5)15(12)19-4/h10-11,13,17H,6-9H2,1-5H3
InChIKeyTYEYGHKEPWWBMW-UHFFFAOYSA-N
XLogP3.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
(1S)-1-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
2-ethoxy-N-methyl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 105008034
N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 43589022
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105190249
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine?
The IUPAC name of N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine (CID 43589032) is N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine.
What is the SMILES notation for N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine?
The canonical SMILES for N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine is CCCCCC(NC)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine?
The InChIKey is TYEYGHKEPWWBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-7-8-9-13(17-2)12-10-11-14(18-3)16(20-5)15(12)19-4/h10-11,13,17H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine?
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine is sourced from PubChem (CID 43589032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).