N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine

C17H27NO — CID 105188962

IUPACN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
SMILESCCNC(COC(C)(C)C)C1CC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-5-18-16(12-19-17(2,3)4)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-16,18H,5,11-12H2,1-4H3
InChIKeyCLCQDTLMFDDFIX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds6

About N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine

N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 105188962) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
PubChem CID105188962
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
SMILESCCNC(COC(C)(C)C)C1CC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-5-18-16(12-19-17(2,3)4)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-16,18H,5,11-12H2,1-4H3
InChIKeyCLCQDTLMFDDFIX-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116759060
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105024327
N-ethyl-1-(2-phenylcyclopropyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148555
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 115841868
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116721385
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216465

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine (CID 105188962) is N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine is CCNC(COC(C)(C)C)C1CC1c1ccccc1.
What is the InChIKey of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is CLCQDTLMFDDFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-16(12-19-17(2,3)4)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-16,18H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine?
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 105188962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).