N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine

C16H25NO2 — CID 79627900

IUPACN-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCOc1ccc(OCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-12-16(2,3)11-17-13-5-6-13/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeySIRLOKHWVFZYOW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds8

About N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79627900) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79627900
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCOc1ccc(OCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-12-16(2,3)11-17-13-5-6-13/h7-10,13,17H,4-6,11-12H2,1-3H3
InChIKeySIRLOKHWVFZYOW-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-ethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308897
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
CID 79627246
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
CID 79621302
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine (CID 79627900) is N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine is CCOc1ccc(OCC(C)(C)CNC2CC2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is SIRLOKHWVFZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-12-16(2,3)11-17-13-5-6-13/h7-10,13,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79627900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).