ethane;2-phenylmethoxyethanamine

C11H19NO — CID 142016503

IUPACethane;2-phenylmethoxyethanamine
SMILESCC.NCCOCc1ccccc1
InChIInChI=1S/C9H13NO.C2H6/c10-6-7-11-8-9-4-2-1-3-5-9;1-2/h1-5H,6-8,10H2;1-2H3
InChIKeyUASDAESVMKCZDS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds4

About ethane;2-phenylmethoxyethanamine

ethane;2-phenylmethoxyethanamine (PubChem CID 142016503) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;2-phenylmethoxyethanamine.

Molecular Properties

Compound Nameethane;2-phenylmethoxyethanamine
PubChem CID142016503
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;2-phenylmethoxyethanamine
SMILESCC.NCCOCc1ccccc1
InChIInChI=1S/C9H13NO.C2H6/c10-6-7-11-8-9-4-2-1-3-5-9;1-2/h1-5H,6-8,10H2;1-2H3
InChIKeyUASDAESVMKCZDS-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-phenylmethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
ethane;phenylmethoxymethylbenzene
CID 90943549
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
CID 161095799
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
butoxymethylbenzene;ethane
CID 145341806
butoxymethylbenzene;phenylmethanamine
CID 142079106
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
CID 66734377
CID 66734377
2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine
CID 135174025

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenylmethoxyethanamine?
The IUPAC name of ethane;2-phenylmethoxyethanamine (CID 142016503) is ethane;2-phenylmethoxyethanamine.
What is the SMILES notation for ethane;2-phenylmethoxyethanamine?
The canonical SMILES for ethane;2-phenylmethoxyethanamine is CC.NCCOCc1ccccc1.
What is the InChIKey of ethane;2-phenylmethoxyethanamine?
The InChIKey is UASDAESVMKCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c10-6-7-11-8-9-4-2-1-3-5-9;1-2/h1-5H,6-8,10H2;1-2H3.
What are the key properties of ethane;2-phenylmethoxyethanamine?
ethane;2-phenylmethoxyethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenylmethoxyethanamine is sourced from PubChem (CID 142016503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).