1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine

C15H25NO — CID 117111966

IUPAC1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)Cc1cccc(CC(C)(C)N)c1
InChIInChI=1S/C15H25NO/c1-14(2,16)10-12-7-6-8-13(9-12)11-15(3,4)17-5/h6-9H,10-11,16H2,1-5H3
InChIKeyHPUNMTQYPRDYRQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.93
Rot. Bonds5

About 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine

1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117111966) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
PubChem CID117111966
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)Cc1cccc(CC(C)(C)N)c1
InChIInChI=1S/C15H25NO/c1-14(2,16)10-12-7-6-8-13(9-12)11-15(3,4)17-5/h6-9H,10-11,16H2,1-5H3
InChIKeyHPUNMTQYPRDYRQ-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110763
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
1-[3-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-2-ol
CID 117111965
1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
CID 117114454
2-[3-(2-methoxy-2-methylpropyl)phenyl]acetic acid
CID 117111528
(2-methoxy-2-methylpropyl)benzene
CID 3842751
1-(2-methoxy-2-methylpropyl)-3-nitrobenzene
CID 14316807
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
CID 117111980
1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117117355
2-methyl-1-(3-nitrophenyl)propan-2-amine
CID 65015484

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine (CID 117111966) is 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine is COC(C)(C)Cc1cccc(CC(C)(C)N)c1.
What is the InChIKey of 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is HPUNMTQYPRDYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,16)10-12-7-6-8-13(9-12)11-15(3,4)17-5/h6-9H,10-11,16H2,1-5H3.
What are the key properties of 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine?
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117111966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).