N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine

C15H23NO2 — CID 81093085

IUPACN-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
SMILESCCOC(CNC1CC1c1ccccc1)OCC
InChIInChI=1S/C15H23NO2/c1-3-17-15(18-4-2)11-16-14-10-13(14)12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3
InChIKeyUGDMJLIUTSNEMP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.53
Rot. Bonds8

About N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine

N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine (PubChem CID 81093085) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
PubChem CID81093085
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
SMILESCCOC(CNC1CC1c1ccccc1)OCC
InChIInChI=1S/C15H23NO2/c1-3-17-15(18-4-2)11-16-14-10-13(14)12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3
InChIKeyUGDMJLIUTSNEMP-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
CID 77030977
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
CID 115919440
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
3-(3-chlorophenyl)-N-(2,2-diethoxyethyl)cyclobutan-1-amine
CID 79547861
3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid
CID 103244651
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116721385
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine
CID 104562065
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine (CID 81093085) is N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine is CCOC(CNC1CC1c1ccccc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine?
The InChIKey is UGDMJLIUTSNEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-15(18-4-2)11-16-14-10-13(14)12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine?
N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 81093085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).