N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine

C14H21NO2 — CID 55088293

IUPACN-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
SMILESc1ccc(OCCOCCNCC2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-4-14(5-3-1)17-11-10-16-9-8-15-12-13-6-7-13/h1-5,13,15H,6-12H2
InChIKeySKQCHZQTGLLXGS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.08
Rot. Bonds9

About N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine

N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine (PubChem CID 55088293) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
PubChem CID55088293
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
SMILESc1ccc(OCCOCCNCC2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-4-14(5-3-1)17-11-10-16-9-8-15-12-13-6-7-13/h1-5,13,15H,6-12H2
InChIKeySKQCHZQTGLLXGS-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
CID 55021286
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54805017
N-[(3-chlorocyclohexyl)methyl]-2-phenoxyethanamine
CID 114146369
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-[(2,2-diphenyl-1,3-dioxan-5-yl)methyl]-2-phenoxyethanamine
CID 155552821
2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine
CID 65024254
2-(2-phenoxyethoxy)ethanol
CID 7715
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine (CID 55088293) is N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine is c1ccc(OCCOCCNCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine?
The InChIKey is SKQCHZQTGLLXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-4-14(5-3-1)17-11-10-16-9-8-15-12-13-6-7-13/h1-5,13,15H,6-12H2.
What are the key properties of N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine?
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine is sourced from PubChem (CID 55088293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).