4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine

C16H27NO — CID 79763034

IUPAC4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCc1ccccc1C
InChIInChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)10-11-17-14(2)12-16(3,4)18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyVTGHHRBPJHCACC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.33
Rot. Bonds7

About 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine

4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine (PubChem CID 79763034) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
PubChem CID79763034
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCc1ccccc1C
InChIInChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)10-11-17-14(2)12-16(3,4)18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyVTGHHRBPJHCACC-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
4-methoxy-4-methyl-N-(2-pyridin-2-ylethyl)pentan-2-amine
CID 43147057
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
CID 64715133
4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
N-[2-(2-methylphenyl)ethyl]but-3-en-2-amine
CID 107907265
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
2-ethyl-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147091
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine (CID 79763034) is 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine is COC(C)(C)CC(C)NCCc1ccccc1C.
What is the InChIKey of 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine?
The InChIKey is VTGHHRBPJHCACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13-8-6-7-9-15(13)10-11-17-14(2)12-16(3,4)18-5/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 79763034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).