N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine

C23H43N2OP — CID 174959613

IUPACN-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCP(CCN(C(C)C)C(C)C)OCc1ccccc1)C(C)C
InChIInChI=1S/C23H43N2OP/c1-19(2)24(20(3)4)14-16-27(17-15-25(21(5)6)22(7)8)26-18-23-12-10-9-11-13-23/h9-13,19-22H,14-18H2,1-8H3
InChIKeyDFCACVZSCCDWCW-UHFFFAOYSA-N
MW394.58 g/mol
LogP5.84
Rot. Bonds13

About N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 174959613) has the molecular formula C23H43N2OP and a molecular weight of 394.58 g/mol. Its IUPAC name is N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID174959613
Molecular FormulaC23H43N2OP
Molecular Weight394.58 g/mol
Exact Mass394.31
IUPAC NameN-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCP(CCN(C(C)C)C(C)C)OCc1ccccc1)C(C)C
InChIInChI=1S/C23H43N2OP/c1-19(2)24(20(3)4)14-16-27(17-15-25(21(5)6)22(7)8)26-18-23-12-10-9-11-13-23/h9-13,19-22H,14-18H2,1-8H3
InChIKeyDFCACVZSCCDWCW-UHFFFAOYSA-N
XLogP5.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite
CID 174548244
tribenzyl phosphite
CID 11810300
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine
CID 142156653
3-[di(propan-2-yl)amino]propyl-triphenylphosphanium
CID 71322716
benzyl methyl phenyl phosphite
CID 19107157
N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 122548842
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
1-(phenylmethoxyamino)ethylphosphonous acid
CID 19880141
lithium;hydride;methoxymethylbenzene
CID 174456658
benzyl bis(prop-2-enyl) phosphite
CID 18961624
phenylmethoxyphosphonamidous acid
CID 91418701

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine (CID 174959613) is N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCP(CCN(C(C)C)C(C)C)OCc1ccccc1)C(C)C.
What is the InChIKey of N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is DFCACVZSCCDWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N2OP/c1-19(2)24(20(3)4)14-16-27(17-15-25(21(5)6)22(7)8)26-18-23-12-10-9-11-13-23/h9-13,19-22H,14-18H2,1-8H3.
What are the key properties of N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 394.58 g/mol, XLogP of 5.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174959613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).