2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile

C20H27N3O2 — CID 161095799

IUPAC2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
SMILESN#CCNCCOCc1ccccc1.NCCOCc1ccccc1
InChIInChI=1S/C11H14N2O.C9H13NO/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11;10-6-7-11-8-9-4-2-1-3-5-9/h1-5,13H,7-10H2;1-5H,6-8,10H2
InChIKeyUHTUJENRIBYWSW-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.48
Rot. Bonds10

About 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile

2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile (PubChem CID 161095799) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile.

Molecular Properties

Compound Name2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
PubChem CID161095799
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
SMILESN#CCNCCOCc1ccccc1.NCCOCc1ccccc1
InChIInChI=1S/C11H14N2O.C9H13NO/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11;10-6-7-11-8-9-4-2-1-3-5-9/h1-5,13H,7-10H2;1-5H,6-8,10H2
InChIKeyUHTUJENRIBYWSW-UHFFFAOYSA-N
XLogP2.48
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-phenylmethoxyethanamine
CID 142016503
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
3-(4-phenylmethoxybutylamino)propanenitrile
CID 130774544
2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene
CID 159060226
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
CID 130174466
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
CID 171818931
2-methyl-2-methylsulfanyl-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130536878
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile?
The IUPAC name of 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile (CID 161095799) is 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile.
What is the SMILES notation for 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile?
The canonical SMILES for 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile is N#CCNCCOCc1ccccc1.NCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile?
The InChIKey is UHTUJENRIBYWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C9H13NO/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11;10-6-7-11-8-9-4-2-1-3-5-9/h1-5,13H,7-10H2;1-5H,6-8,10H2.
What are the key properties of 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile?
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile has a molecular weight of 341.46 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile is sourced from PubChem (CID 161095799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).