N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine

C20H28N2O4 — CID 10522538

IUPACN-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
SMILESc1ccc(CONCCOCCOCCNOCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O4/c1-3-7-19(8-4-1)17-25-21-11-13-23-15-16-24-14-12-22-26-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyKATJFLGEPYPURG-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.46
Rot. Bonds15

About N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine

N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine (PubChem CID 10522538) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
PubChem CID10522538
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
SMILESc1ccc(CONCCOCCOCCNOCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O4/c1-3-7-19(8-4-1)17-25-21-11-13-23-15-16-24-14-12-22-26-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2
InChIKeyKATJFLGEPYPURG-UHFFFAOYSA-N
XLogP2.46
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 64974239
3-methoxy-N-phenylmethoxypropan-1-amine
CID 64974237
2-phenylmethoxy-N-prop-2-enoxyethanamine
CID 130844891
4-bromo-N-phenylmethoxybutan-1-amine
CID 71377323
3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
CID 64974455
4-(phenylmethoxyamino)butanoic acid;hydrochloride
CID 139029466
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2,2-difluoro-N-phenylmethoxyethanamine
CID 64974244
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-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine?
The IUPAC name of N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine (CID 10522538) is N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine is c1ccc(CONCCOCCOCCNOCc2ccccc2)cc1.
What is the InChIKey of N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine?
The InChIKey is KATJFLGEPYPURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-7-19(8-4-1)17-25-21-11-13-23-15-16-24-14-12-22-26-18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2.
What are the key properties of N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine?
N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine has a molecular weight of 360.45 g/mol, XLogP of 2.46, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 10522538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).