2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine

C18H29NO — CID 116759060

IUPAC2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNC(C1CC1c1ccccc1)C(C)(CC)OCC
InChIInChI=1S/C18H29NO/c1-5-18(4,20-7-3)17(19-6-2)16-13-15(16)14-11-9-8-10-12-14/h8-12,15-17,19H,5-7,13H2,1-4H3
InChIKeyMTBVGMNMWCUTQC-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.97
Rot. Bonds8

About 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine

2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116759060) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116759060
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNC(C1CC1c1ccccc1)C(C)(CC)OCC
InChIInChI=1S/C18H29NO/c1-5-18(4,20-7-3)17(19-6-2)16-13-15(16)14-11-9-8-10-12-14/h8-12,15-17,19H,5-7,13H2,1-4H3
InChIKeyMTBVGMNMWCUTQC-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
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-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
2-methoxy-N,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517722
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
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-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine (CID 116759060) is 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine is CCNC(C1CC1c1ccccc1)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is MTBVGMNMWCUTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-18(4,20-7-3)17(19-6-2)16-13-15(16)14-11-9-8-10-12-14/h8-12,15-17,19H,5-7,13H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116759060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).