3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile

C14H20N2O2 — CID 62780401

IUPAC3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile
SMILESCOCCOCCNC(CC#N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-17-11-12-18-10-9-16-14(7-8-15)13-5-3-2-4-6-13/h2-6,14,16H,7,9-12H2,1H3
InChIKeyPZQLLRGXVXLRPV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.89
Rot. Bonds9

About 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile

3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile (PubChem CID 62780401) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile
PubChem CID62780401
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile
SMILESCOCCOCCNC(CC#N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-17-11-12-18-10-9-16-14(7-8-15)13-5-3-2-4-6-13/h2-6,14,16H,7,9-12H2,1H3
InChIKeyPZQLLRGXVXLRPV-UHFFFAOYSA-N
XLogP1.89
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.89
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

3-(2-methoxyethoxyamino)-3-phenylpropanenitrile
CID 82722769
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737
3-[(2-cyano-1-phenylethyl)amino]propanamide
CID 62779874
3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351
3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
CID 79749127
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile
CID 106159929
3-[[3-(methoxymethyl)phenyl]methylamino]-3-phenylpropanenitrile
CID 62779379
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile (CID 62780401) is 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile is COCCOCCNC(CC#N)c1ccccc1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile?
The InChIKey is PZQLLRGXVXLRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-11-12-18-10-9-16-14(7-8-15)13-5-3-2-4-6-13/h2-6,14,16H,7,9-12H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile?
3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile has a molecular weight of 248.33 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile is sourced from PubChem (CID 62780401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).