4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine

C15H25NO — CID 81351575

IUPAC4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(11-15(3,4)17-5)16-13(2)14-9-7-6-8-10-14/h6-10,12-13,16H,11H2,1-5H3/t12?,13-/m0/s1
InChIKeyYZXAAIQNKCZEQW-ABLWVSNPSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds6

About 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine

4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine (PubChem CID 81351575) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
PubChem CID81351575
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(11-15(3,4)17-5)16-13(2)14-9-7-6-8-10-14/h6-10,12-13,16H,11H2,1-5H3/t12?,13-/m0/s1
InChIKeyYZXAAIQNKCZEQW-ABLWVSNPSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
CID 81349447
4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
CID 43711889
4-methoxy-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-2-amine
CID 43693156
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
4-methoxy-4-methyl-N-(2-phenylpropyl)pentan-2-amine
CID 43147178
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147148
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43689410
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
(3-methoxy-3-methyl-1-phenylbutyl)hydrazine
CID 103025167

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine (CID 81351575) is 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine is COC(C)(C)CC(C)N[C@@H](C)c1ccccc1.
What is the InChIKey of 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine?
The InChIKey is YZXAAIQNKCZEQW-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(11-15(3,4)17-5)16-13(2)14-9-7-6-8-10-14/h6-10,12-13,16H,11H2,1-5H3/t12?,13-/m0/s1.
What are the key properties of 4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 6 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-[(1S)-1-phenylethyl]pentan-2-amine is sourced from PubChem (CID 81351575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).