3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine

C15H25NO — CID 103033487

IUPAC3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCN[C@@H](C)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-12-8-6-7-9-14(12)13(2)16-11-10-15(3,4)17-5/h6-9,13,16H,10-11H2,1-5H3/t13-/m0/s1
InChIKeyVUYYROZJMIGAJI-ZDUSSCGKSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds6

About 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine

3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine (PubChem CID 103033487) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
PubChem CID103033487
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCN[C@@H](C)c1ccccc1C
InChIInChI=1S/C15H25NO/c1-12-8-6-7-9-14(12)13(2)16-11-10-15(3,4)17-5/h6-9,13,16H,10-11H2,1-5H3/t13-/m0/s1
InChIKeyVUYYROZJMIGAJI-ZDUSSCGKSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102977960
(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
CID 106724109
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
1-(2-methylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710760
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine (CID 103033487) is 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine is COC(C)(C)CCN[C@@H](C)c1ccccc1C.
What is the InChIKey of 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine?
The InChIKey is VUYYROZJMIGAJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-8-6-7-9-14(12)13(2)16-11-10-15(3,4)17-5/h6-9,13,16H,10-11H2,1-5H3/t13-/m0/s1.
What are the key properties of 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine?
3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 103033487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).