2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene

C32H55N3O4 — CID 159060226

IUPAC2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene
SMILESC.C.CCCOCc1ccccc1.NCCO.NCCOCc1ccccc1.OCCNCc1ccccc1
InChIInChI=1S/C10H14O.2C9H13NO.C2H7NO.2CH4/c1-2-8-11-9-10-6-4-3-5-7-10;10-6-7-11-8-9-4-2-1-3-5-9;11-7-6-10-8-9-4-2-1-3-5-9;3-1-2-4;;/h3-7H,2,8-9H2,1H3;1-5H,6-8,10H2;1-5,10-11H,6-8H2;4H,1-3H2;2*1H4
InChIKeyJYJIOPPTYHGXQC-UHFFFAOYSA-N
MW545.81 g/mol
LogP4.75
Rot. Bonds13

About 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene

2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene (PubChem CID 159060226) has the molecular formula C32H55N3O4 and a molecular weight of 545.81 g/mol. Its IUPAC name is 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene.

Molecular Properties

Compound Name2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene
PubChem CID159060226
Molecular FormulaC32H55N3O4
Molecular Weight545.81 g/mol
Exact Mass545.42
IUPAC Name2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene
SMILESC.C.CCCOCc1ccccc1.NCCO.NCCOCc1ccccc1.OCCNCc1ccccc1
InChIInChI=1S/C10H14O.2C9H13NO.C2H7NO.2CH4/c1-2-8-11-9-10-6-4-3-5-7-10;10-6-7-11-8-9-4-2-1-3-5-9;11-7-6-10-8-9-4-2-1-3-5-9;3-1-2-4;;/h3-7H,2,8-9H2,1H3;1-5H,6-8,10H2;1-5,10-11H,6-8H2;4H,1-3H2;2*1H4
InChIKeyJYJIOPPTYHGXQC-UHFFFAOYSA-N
XLogP4.75
TPSA122.99 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.81
LogP ≤ 54.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-phenylmethoxyethanamine
CID 142016503
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
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
1-phenyl-N-(propoxymethyl)methanamine
CID 122494011
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
CID 161095799
N-benzyl-3-dipropoxysilylpropan-1-amine
CID 123489020
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene?
The IUPAC name of 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene (CID 159060226) is 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene.
What is the SMILES notation for 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene?
The canonical SMILES for 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene is C.C.CCCOCc1ccccc1.NCCO.NCCOCc1ccccc1.OCCNCc1ccccc1.
What is the InChIKey of 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene?
The InChIKey is JYJIOPPTYHGXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.2C9H13NO.C2H7NO.2CH4/c1-2-8-11-9-10-6-4-3-5-7-10;10-6-7-11-8-9-4-2-1-3-5-9;11-7-6-10-8-9-4-2-1-3-5-9;3-1-2-4;;/h3-7H,2,8-9H2,1H3;1-5H,6-8,10H2;1-5,10-11H,6-8H2;4H,1-3H2;2*1H4.
What are the key properties of 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene?
2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene has a molecular weight of 545.81 g/mol, XLogP of 4.75, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene is sourced from PubChem (CID 159060226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).