1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine

C17H29NO2 — CID 107506741

IUPAC1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)COc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-14(11-19-6)12-20-16-10-13(2)8-9-15(16)17(3,4)5/h8-10,14,18H,7,11-12H2,1-6H3
InChIKeyUURCQGZOJUIEOF-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.30
Rot. Bonds7

About 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine

1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 107506741) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
PubChem CID107506741
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)COc1cc(C)ccc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-18-14(11-19-6)12-20-16-10-13(2)8-9-15(16)17(3,4)5/h8-10,14,18H,7,11-12H2,1-6H3
InChIKeyUURCQGZOJUIEOF-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene
CID 66222531
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
CID 107506620
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
methyl 2-bromo-3-(2-tert-butyl-5-methylphenoxy)propanoate
CID 81092646
5-(2-tert-butyl-5-methylphenoxy)-N-ethylpentan-1-amine
CID 63492667
3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2300142
1-(2-ethoxyphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506539
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64811237
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628
2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine (CID 107506741) is 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)COc1cc(C)ccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is UURCQGZOJUIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-18-14(11-19-6)12-20-16-10-13(2)8-9-15(16)17(3,4)5/h8-10,14,18H,7,11-12H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine?
1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107506741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).