N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine

C16H27NO3 — CID 43589022

IUPACN,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
SMILESCCCC(C)C(NC)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO3/c1-7-8-11(2)14(17-3)12-9-10-13(18-4)16(20-6)15(12)19-5/h9-11,14,17H,7-8H2,1-6H3
InChIKeyOOQKXJNIIYWZGH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.41
Rot. Bonds8

About N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine

N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine (PubChem CID 43589022) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
PubChem CID43589022
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
SMILESCCCC(C)C(NC)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C16H27NO3/c1-7-8-11(2)14(17-3)12-9-10-13(18-4)16(20-6)15(12)19-5/h9-11,14,17H,7-8H2,1-6H3
InChIKeyOOQKXJNIIYWZGH-UHFFFAOYSA-N
XLogP3.41
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
CID 43589090
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
CID 65438768
2-ethoxy-N-methyl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 105008034
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
CID 62303499
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
1-(4-bromo-3-methylbutan-2-yl)-2,3,4-trimethoxybenzene
CID 83934039
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718984

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The IUPAC name of N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine (CID 43589022) is N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine is CCCC(C)C(NC)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The InChIKey is OOQKXJNIIYWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-8-11(2)14(17-3)12-9-10-13(18-4)16(20-6)15(12)19-5/h9-11,14,17H,7-8H2,1-6H3.
What are the key properties of N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine?
N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 43589022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).