N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine

C16H27NO2 — CID 43674264

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-7-12(2)11-17-13(3)15-9-8-14(18-4)10-16(15)19-5/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeyITRNSDXLYQXWID-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds8

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine (PubChem CID 43674264) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
PubChem CID43674264
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-7-12(2)11-17-13(3)15-9-8-14(18-4)10-16(15)19-5/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeyITRNSDXLYQXWID-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
1-(2,4-dimethoxyphenyl)-3-methylhexan-1-ol
CID 65150827
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine (CID 43674264) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine is CCCC(C)CNC(C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine?
The InChIKey is ITRNSDXLYQXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-7-12(2)11-17-13(3)15-9-8-14(18-4)10-16(15)19-5/h8-10,12-13,17H,6-7,11H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine is sourced from PubChem (CID 43674264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).