N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine

C16H25NO3 — CID 104562065

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine
SMILESCOCCOCCOCCNC1CC1c1ccccc1
InChIInChI=1S/C16H25NO3/c1-18-9-10-20-12-11-19-8-7-17-16-13-15(16)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3
InChIKeyMCTQOVSEORNHRU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.81
Rot. Bonds11

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine (PubChem CID 104562065) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine
PubChem CID104562065
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine
SMILESCOCCOCCOCCNC1CC1c1ccccc1
InChIInChI=1S/C16H25NO3/c1-18-9-10-20-12-11-19-8-7-17-16-13-15(16)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3
InChIKeyMCTQOVSEORNHRU-UHFFFAOYSA-N
XLogP1.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
CID 103244657
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 67065292
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
(2S,3S)-2-[2-(2-methoxyethoxy)ethoxymethyl]-3-phenyloxirane
CID 10800794
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
CID 81093085
3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64904853
trans-(1R,2S)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 118290144
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 66629953

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine (CID 104562065) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine is COCCOCCOCCNC1CC1c1ccccc1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine?
The InChIKey is MCTQOVSEORNHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-9-10-20-12-11-19-8-7-17-16-13-15(16)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 1.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 104562065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).