[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite

C14H25N2O3P — CID 172684373

IUPAC[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite
SMILESCOP(OC)OC(CCc1ccccc1)CNCCN
InChIInChI=1S/C14H25N2O3P/c1-17-20(18-2)19-14(12-16-11-10-15)9-8-13-6-4-3-5-7-13/h3-7,14,16H,8-12,15H2,1-2H3
InChIKeyAVJNVPWVZXENJI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.07
Rot. Bonds11

About [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite

[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite (PubChem CID 172684373) has the molecular formula C14H25N2O3P and a molecular weight of 300.34 g/mol. Its IUPAC name is [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite.

Molecular Properties

Compound Name[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite
PubChem CID172684373
Molecular FormulaC14H25N2O3P
Molecular Weight300.34 g/mol
Exact Mass300.16
IUPAC Name[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite
SMILESCOP(OC)OC(CCc1ccccc1)CNCCN
InChIInChI=1S/C14H25N2O3P/c1-17-20(18-2)19-14(12-16-11-10-15)9-8-13-6-4-3-5-7-13/h3-7,14,16H,8-12,15H2,1-2H3
InChIKeyAVJNVPWVZXENJI-UHFFFAOYSA-N
XLogP2.07
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.07
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

ethane;N'-[4-phenyl-2-(2-phenylethyl)butyl]propane-1,3-diamine
CID 145359006
N'-[(2R)-3-phenyl-2-trimethoxysilylpropyl]ethane-1,2-diamine
CID 99738332
4-phenylbutan-2-ylhydrazine
CID 28622
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
5-phenyl-2-propan-2-yl-N-propylpentan-1-amine
CID 63522931
N'-[[trimethoxy(2-phenylethyl)-λ5-phosphanyl]methyl]ethane-1,2-diamine
CID 164843745
2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
CID 22955485
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
(6-methoxy-1-phenylhexan-3-yl)hydrazine
CID 105205746
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747
N'-(6-phenylhexan-3-yl)ethane-1,2-diamine
CID 71061994
ethyl 2-(5-aminopentylamino)-4-phenylbutanoate
CID 70340285

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite?
The IUPAC name of [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite (CID 172684373) is [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite.
What is the SMILES notation for [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite?
The canonical SMILES for [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite is COP(OC)OC(CCc1ccccc1)CNCCN.
What is the InChIKey of [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite?
The InChIKey is AVJNVPWVZXENJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O3P/c1-17-20(18-2)19-14(12-16-11-10-15)9-8-13-6-4-3-5-7-13/h3-7,14,16H,8-12,15H2,1-2H3.
What are the key properties of [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite?
[1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite has a molecular weight of 300.34 g/mol, XLogP of 2.07, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethylamino)-4-phenylbutan-2-yl] dimethyl phosphite is sourced from PubChem (CID 172684373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).