N-benzyl-N'-phenylmethoxyethane-1,2-diamine

C16H20N2O — CID 15864740

IUPACN-benzyl-N'-phenylmethoxyethane-1,2-diamine
SMILESc1ccc(CNCCNOCc2ccccc2)cc1
InChIInChI=1S/C16H20N2O/c1-3-7-15(8-4-1)13-17-11-12-18-19-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyYOANQUABLNHQLU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.50
Rot. Bonds8

About N-benzyl-N'-phenylmethoxyethane-1,2-diamine

N-benzyl-N'-phenylmethoxyethane-1,2-diamine (PubChem CID 15864740) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-benzyl-N'-phenylmethoxyethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-phenylmethoxyethane-1,2-diamine
PubChem CID15864740
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-benzyl-N'-phenylmethoxyethane-1,2-diamine
SMILESc1ccc(CNCCNOCc2ccccc2)cc1
InChIInChI=1S/C16H20N2O/c1-3-7-15(8-4-1)13-17-11-12-18-19-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyYOANQUABLNHQLU-UHFFFAOYSA-N
XLogP2.50
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-phenylmethoxyethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-phenylmethoxyethane-1,2-diamine (CID 15864740) is N-benzyl-N'-phenylmethoxyethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-phenylmethoxyethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-phenylmethoxyethane-1,2-diamine is c1ccc(CNCCNOCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N'-phenylmethoxyethane-1,2-diamine?
The InChIKey is YOANQUABLNHQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-7-15(8-4-1)13-17-11-12-18-19-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of N-benzyl-N'-phenylmethoxyethane-1,2-diamine?
N-benzyl-N'-phenylmethoxyethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-phenylmethoxyethane-1,2-diamine is sourced from PubChem (CID 15864740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).