2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine

C17H27NO2 — CID 83159411

IUPAC2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
SMILESCCNCC(C)(CCOc1ccccc1OC)C1CC1
InChIInChI=1S/C17H27NO2/c1-4-18-13-17(2,14-9-10-14)11-12-20-16-8-6-5-7-15(16)19-3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyQCFYQZWSMMTBPZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.49
Rot. Bonds9

About 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine

2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine (PubChem CID 83159411) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
PubChem CID83159411
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
SMILESCCNCC(C)(CCOc1ccccc1OC)C1CC1
InChIInChI=1S/C17H27NO2/c1-4-18-13-17(2,14-9-10-14)11-12-20-16-8-6-5-7-15(16)19-3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyQCFYQZWSMMTBPZ-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine
CID 83150520
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150609
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
2-cyclopropyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 83159680
N-ethyl-2-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 62354236
2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640724
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
1-[3-(bromomethyl)-3-methylhexoxy]-2-methoxybenzene
CID 66050883
3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83149504
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
1-[3-(bromomethyl)-3-ethylpentoxy]-2-methoxybenzene
CID 66050017

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine (CID 83159411) is 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine is CCNCC(C)(CCOc1ccccc1OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine?
The InChIKey is QCFYQZWSMMTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-13-17(2,14-9-10-14)11-12-20-16-8-6-5-7-15(16)19-3/h5-8,14,18H,4,9-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine?
2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine is sourced from PubChem (CID 83159411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).