2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine

C17H29NO2 — CID 106665422

IUPAC2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCOC(C)(C)CCOC(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-13(2)16(20-12-11-17(3,4)19-5)15(18)14-9-7-6-8-10-14/h6-10,13,15-16H,11-12,18H2,1-5H3
InChIKeyIMRZOVYVCNUMQV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.54
Rot. Bonds8

About 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine

2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine (PubChem CID 106665422) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine
PubChem CID106665422
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine
SMILESCOC(C)(C)CCOC(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-13(2)16(20-12-11-17(3,4)19-5)15(18)14-9-7-6-8-10-14/h6-10,13,15-16H,11-12,18H2,1-5H3
InChIKeyIMRZOVYVCNUMQV-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
CID 106665054
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
CID 106665055
(3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate
CID 106666111
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
3-(3-methoxy-3-methylbutoxy)-2-phenylpropane-1-thiol
CID 106668916
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478
2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
CID 106665020
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
7-methoxy-7-methyl-2-phenyloctan-4-ol
CID 103035120
(1R,2R)-3,3-dimethyl-1-phenylbutane-1,2-diamine;dihydrochloride
CID 53487564
2-(3-methoxy-3-methylbutoxy)-1-(3-methoxyphenyl)ethanamine
CID 106665334
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine (CID 106665422) is 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine is COC(C)(C)CCOC(C(C)C)C(N)c1ccccc1.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine?
The InChIKey is IMRZOVYVCNUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)16(20-12-11-17(3,4)19-5)15(18)14-9-7-6-8-10-14/h6-10,13,15-16H,11-12,18H2,1-5H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine?
2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 106665422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).