2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine

C17H25NO — CID 116722479

IUPAC2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
SMILESCCNC(C1CC1c1ccccc1)C(OC)C1CC1
InChIInChI=1S/C17H25NO/c1-3-18-16(17(19-2)13-9-10-13)15-11-14(15)12-7-5-4-6-8-12/h4-8,13-18H,3,9-11H2,1-2H3
InChIKeyLEAGIEWKEWKCHJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.19
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine

2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 116722479) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
PubChem CID116722479
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
SMILESCCNC(C1CC1c1ccccc1)C(OC)C1CC1
InChIInChI=1S/C17H25NO/c1-3-18-16(17(19-2)13-9-10-13)15-11-14(15)12-7-5-4-6-8-12/h4-8,13-18H,3,9-11H2,1-2H3
InChIKeyLEAGIEWKEWKCHJ-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116721385
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
2-methoxy-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 116718802
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
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-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116719956

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine (CID 116722479) is 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine is CCNC(C1CC1c1ccccc1)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is LEAGIEWKEWKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-18-16(17(19-2)13-9-10-13)15-11-14(15)12-7-5-4-6-8-12/h4-8,13-18H,3,9-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine?
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 116722479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).