N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

C19H26NO4P — CID 58600354

IUPACN-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCOP(=O)(OC)N(C)CCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H26NO4P/c1-16-10-8-9-13-18(16)24-19(17-11-6-5-7-12-17)14-15-20(2)25(21,22-3)23-4/h5-13,19H,14-15H2,1-4H3
InChIKeyAPAAEENTHIAAFF-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.84
Rot. Bonds9

About N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine

N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine (PubChem CID 58600354) has the molecular formula C19H26NO4P and a molecular weight of 363.39 g/mol. Its IUPAC name is N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
PubChem CID58600354
Molecular FormulaC19H26NO4P
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
SMILESCOP(=O)(OC)N(C)CCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H26NO4P/c1-16-10-8-9-13-18(16)24-19(17-11-6-5-7-12-17)14-15-20(2)25(21,22-3)23-4/h5-13,19H,14-15H2,1-4H3
InChIKeyAPAAEENTHIAAFF-UHFFFAOYSA-N
XLogP4.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
CID 143896627
1-methyl-2-[(1R)-3-nitro-1-phenylpropoxy]benzene
CID 102389343
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 54759816
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 146156685
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687
N-[3-(2-methylphenoxy)-3-phenylpropyl]propanamide
CID 90685594

Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The IUPAC name of N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine (CID 58600354) is N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine.
What is the SMILES notation for N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The canonical SMILES for N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine is COP(=O)(OC)N(C)CCC(Oc1ccccc1C)c1ccccc1.
What is the InChIKey of N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
The InChIKey is APAAEENTHIAAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO4P/c1-16-10-8-9-13-18(16)24-19(17-11-6-5-7-12-17)14-15-20(2)25(21,22-3)23-4/h5-13,19H,14-15H2,1-4H3.
What are the key properties of N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine?
N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine has a molecular weight of 363.39 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine is sourced from PubChem (CID 58600354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).