2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

C17H29NO2 — CID 116725346

IUPAC2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCCOC(C(N)c1cccc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-19-16(17(4,5)6)15(18)13-9-8-10-14(11-13)20-12(2)3/h8-12,15-16H,7,18H2,1-6H3
InChIKeyDMDJIYBXINAOMB-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.92
Rot. Bonds6

About 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 116725346) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
PubChem CID116725346
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCCOC(C(N)c1cccc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-19-16(17(4,5)6)15(18)13-9-8-10-14(11-13)20-12(2)3/h8-12,15-16H,7,18H2,1-6H3
InChIKeyDMDJIYBXINAOMB-UHFFFAOYSA-N
XLogP3.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116724260
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 116725313
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
2-ethoxy-N,2-dimethyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 116726622
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
[2-ethoxy-1-(3-propan-2-yloxyphenyl)pentyl]hydrazine
CID 105271449
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116709920
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (CID 116725346) is 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is CCOC(C(N)c1cccc(OC(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is DMDJIYBXINAOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-19-16(17(4,5)6)15(18)13-9-8-10-14(11-13)20-12(2)3/h8-12,15-16H,7,18H2,1-6H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 116725346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).