2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine

C18H29NO — CID 116721385

IUPAC2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNC(C1CC1c1ccccc1)C(OCC)C(C)C
InChIInChI=1S/C18H29NO/c1-5-19-17(18(13(3)4)20-6-2)16-12-15(16)14-10-8-7-9-11-14/h7-11,13,15-19H,5-6,12H2,1-4H3
InChIKeyTVPPRGDSQWYAHR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.83
Rot. Bonds8

About 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine

2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116721385) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116721385
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNC(C1CC1c1ccccc1)C(OCC)C(C)C
InChIInChI=1S/C18H29NO/c1-5-19-17(18(13(3)4)20-6-2)16-12-15(16)14-10-8-7-9-11-14/h7-11,13,15-19H,5-6,12H2,1-4H3
InChIKeyTVPPRGDSQWYAHR-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116722479
2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116725506
2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116719956
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
2-ethoxy-N-ethyl-2-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116759060
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
[2,3-dimethyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105341543
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine (CID 116721385) is 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine is CCNC(C1CC1c1ccccc1)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is TVPPRGDSQWYAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(18(13(3)4)20-6-2)16-12-15(16)14-10-8-7-9-11-14/h7-11,13,15-19H,5-6,12H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine?
2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.83, 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-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116721385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).