1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine

C16H27NO — CID 117111980

IUPAC1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCc1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C16H27NO/c1-15(2,17)12-14-8-6-13(7-9-14)10-11-16(3,4)18-5/h6-9H,10-12,17H2,1-5H3
InChIKeyLOPZNQFAKKLTII-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.32
Rot. Bonds6

About 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine

1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117111980) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
PubChem CID117111980
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCc1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C16H27NO/c1-15(2,17)12-14-8-6-13(7-9-14)10-11-16(3,4)18-5/h6-9H,10-12,17H2,1-5H3
InChIKeyLOPZNQFAKKLTII-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
CID 117115635
2-[4-(3-methoxy-3-methylbutyl)phenyl]acetonitrile
CID 115110938
1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine
CID 117116075
(E)-3-[4-(3-methoxy-3-methylbutyl)phenyl]prop-2-en-1-amine
CID 115111046
1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
CID 117110911
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
4-(2-methoxy-2-methylpropyl)aniline
CID 91618890
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
CID 117327303
2-[4-(3-methoxy-3-methylbutyl)phenyl]pyrrolidine
CID 117116747
2-hydroxy-2-[4-(3-methoxy-3-methylbutyl)phenyl]acetic acid
CID 117108518
1-(2-methoxy-2-methylpropyl)-4-methylbenzene
CID 158908797

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine (CID 117111980) is 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine is COC(C)(C)CCc1ccc(CC(C)(C)N)cc1.
What is the InChIKey of 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is LOPZNQFAKKLTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,17)12-14-8-6-13(7-9-14)10-11-16(3,4)18-5/h6-9H,10-12,17H2,1-5H3.
What are the key properties of 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine?
1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117111980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).