1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine

C17H29NO2 — CID 66233118

IUPAC1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)C)c1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-6-15(18)16(20-11-10-17(2,3)4)13-8-7-9-14(12-13)19-5/h7-9,12,15-16H,6,10-11,18H2,1-5H3
InChIKeyIUXZWVLBPLERER-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.93
Rot. Bonds7

About 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine

1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine (PubChem CID 66233118) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
PubChem CID66233118
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)C)c1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-6-15(18)16(20-11-10-17(2,3)4)13-8-7-9-14(12-13)19-5/h7-9,12,15-16H,6,10-11,18H2,1-5H3
InChIKeyIUXZWVLBPLERER-UHFFFAOYSA-N
XLogP3.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409
1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
CID 66233120
1-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 55016107
1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
1-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 55018073
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
CID 55017784
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine (CID 66233118) is 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine is CCC(N)C(OCCC(C)(C)C)c1cccc(OC)c1.
What is the InChIKey of 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine?
The InChIKey is IUXZWVLBPLERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-15(18)16(20-11-10-17(2,3)4)13-8-7-9-14(12-13)19-5/h7-9,12,15-16H,6,10-11,18H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine?
1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 66233118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).