N-methyl-2-(2-methylphenoxy)pentan-1-amine

C13H21NO — CID 83045023

IUPACN-methyl-2-(2-methylphenoxy)pentan-1-amine
SMILESCCCC(CNC)Oc1ccccc1C
InChIInChI=1S/C13H21NO/c1-4-7-12(10-14-3)15-13-9-6-5-8-11(13)2/h5-6,8-9,12,14H,4,7,10H2,1-3H3
InChIKeyPOYIZMCPUAFHOU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About N-methyl-2-(2-methylphenoxy)pentan-1-amine

N-methyl-2-(2-methylphenoxy)pentan-1-amine (PubChem CID 83045023) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenoxy)pentan-1-amine
PubChem CID83045023
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-2-(2-methylphenoxy)pentan-1-amine
SMILESCCCC(CNC)Oc1ccccc1C
InChIInChI=1S/C13H21NO/c1-4-7-12(10-14-3)15-13-9-6-5-8-11(13)2/h5-6,8-9,12,14H,4,7,10H2,1-3H3
InChIKeyPOYIZMCPUAFHOU-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
CID 83045840
1-(2-methylphenoxy)butylphosphane
CID 175049476
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
2-(2-methylphenoxy)octan-1-amine
CID 155313069
2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
CID 83046199
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508543

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenoxy)pentan-1-amine?
The IUPAC name of N-methyl-2-(2-methylphenoxy)pentan-1-amine (CID 83045023) is N-methyl-2-(2-methylphenoxy)pentan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylphenoxy)pentan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylphenoxy)pentan-1-amine is CCCC(CNC)Oc1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenoxy)pentan-1-amine?
The InChIKey is POYIZMCPUAFHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-12(10-14-3)15-13-9-6-5-8-11(13)2/h5-6,8-9,12,14H,4,7,10H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylphenoxy)pentan-1-amine?
N-methyl-2-(2-methylphenoxy)pentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 83045023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).