N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine

C14H27N2O3P — CID 164843745

IUPACN'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine
SMILESCOP(CCc1ccccc1)(CNCCN)(OC)OC
InChIInChI=1S/C14H27N2O3P/c1-17-20(18-2,19-3,13-16-11-10-15)12-9-14-7-5-4-6-8-14/h4-8,16H,9-13,15H2,1-3H3
InChIKeyWSPHQQJHDIWAFP-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.97
Rot. Bonds10

About N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine

N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine (PubChem CID 164843745) has the molecular formula C14H27N2O3P and a molecular weight of 302.35 g/mol. Its IUPAC name is N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine
PubChem CID164843745
Molecular FormulaC14H27N2O3P
Molecular Weight302.35 g/mol
Exact Mass302.18
IUPAC NameN'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine
SMILESCOP(CCc1ccccc1)(CNCCN)(OC)OC
InChIInChI=1S/C14H27N2O3P/c1-17-20(18-2,19-3,13-16-11-10-15)12-9-14-7-5-4-6-8-14/h4-8,16H,9-13,15H2,1-3H3
InChIKeyWSPHQQJHDIWAFP-UHFFFAOYSA-N
XLogP1.97
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite
CID 172684373
benzene;3-phenylpropan-1-amine
CID 174865683
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
3-phenylpropan-1-amine;propane
CID 70273467
N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
CID 70449343
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine
CID 150040596
N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine
CID 99738332

Frequently Asked Questions

What is the IUPAC name of N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine (CID 164843745) is N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine is COP(CCc1ccccc1)(CNCCN)(OC)OC.
What is the InChIKey of N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine?
The InChIKey is WSPHQQJHDIWAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2O3P/c1-17-20(18-2,19-3,13-16-11-10-15)12-9-14-7-5-4-6-8-14/h4-8,16H,9-13,15H2,1-3H3.
What are the key properties of N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine?
N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine has a molecular weight of 302.35 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 164843745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).