N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

C17H29NO2 — CID 103028638

IUPACN-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-18-16(12-17(4,5)19-6)14-9-8-10-15(11-14)20-13(2)3/h8-11,13,16,18H,7,12H2,1-6H3
InChIKeyZMGMAGRMFYXZBX-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds8

About N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 103028638) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
PubChem CID103028638
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H29NO2/c1-7-18-16(12-17(4,5)19-6)14-9-8-10-15(11-14)20-13(2)3/h8-11,13,16,18H,7,12H2,1-6H3
InChIKeyZMGMAGRMFYXZBX-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
CID 115845454
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81015905
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81015863
N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 107064481
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine (CID 103028638) is N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is CCNC(CC(C)(C)OC)c1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is ZMGMAGRMFYXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-18-16(12-17(4,5)19-6)14-9-8-10-15(11-14)20-13(2)3/h8-11,13,16,18H,7,12H2,1-6H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 103028638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).