N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine

C19H26N2O — CID 11850166

IUPACN'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine
SMILESC[C@@H](NCCNCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-17(19-10-6-3-7-11-19)21-13-12-20-14-15-22-16-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17-/m1/s1
InChIKeyCTERFGZKOYFXBM-QGZVFWFLSA-N
MW298.43 g/mol
LogP3.14
Rot. Bonds10

About N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine

N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine (PubChem CID 11850166) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine
PubChem CID11850166
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine
SMILESC[C@@H](NCCNCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-17(19-10-6-3-7-11-19)21-13-12-20-14-15-22-16-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17-/m1/s1
InChIKeyCTERFGZKOYFXBM-QGZVFWFLSA-N
XLogP3.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
CID 171818931
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
N'-(2-phenylmethoxyethyl)propane-1,3-diamine
CID 130536795
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
(1R)-N-[2-[4-(methoxymethyl)phenyl]ethyl]-1-phenylethanamine
CID 154810135
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine (CID 11850166) is N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine is C[C@@H](NCCNCCOCc1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The InChIKey is CTERFGZKOYFXBM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O/c1-17(19-10-6-3-7-11-19)21-13-12-20-14-15-22-16-18-8-4-2-5-9-18/h2-11,17,20-21H,12-16H2,1H3/t17-/m1/s1.
What are the key properties of N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine?
N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 11850166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).