N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline

C15H26NO4P — CID 135068771

IUPACN-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)CP(=O)(OC(C)C)OC(C)C)cc1
InChIInChI=1S/C15H26NO4P/c1-12(2)19-21(17,20-13(3)4)11-16(5)14-7-9-15(18-6)10-8-14/h7-10,12-13H,11H2,1-6H3
InChIKeySRPVBZGVRBJVEA-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.13
Rot. Bonds8

About N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline

N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline (PubChem CID 135068771) has the molecular formula C15H26NO4P and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline
PubChem CID135068771
Molecular FormulaC15H26NO4P
Molecular Weight315.35 g/mol
Exact Mass315.16
IUPAC NameN-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)CP(=O)(OC(C)C)OC(C)C)cc1
InChIInChI=1S/C15H26NO4P/c1-12(2)19-21(17,20-13(3)4)11-16(5)14-7-9-15(18-6)10-8-14/h7-10,12-13H,11H2,1-6H3
InChIKeySRPVBZGVRBJVEA-UHFFFAOYSA-N
XLogP4.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(diethoxyphosphorylmethyl)-4-methoxy-N-methylaniline
CID 102299987
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554288
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453906
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
CID 101193123

Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline (CID 135068771) is N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline is COc1ccc(N(C)CP(=O)(OC(C)C)OC(C)C)cc1.
What is the InChIKey of N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline?
The InChIKey is SRPVBZGVRBJVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO4P/c1-12(2)19-21(17,20-13(3)4)11-16(5)14-7-9-15(18-6)10-8-14/h7-10,12-13H,11H2,1-6H3.
What are the key properties of N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline?
N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline has a molecular weight of 315.35 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(propan-2-yloxy)phosphorylmethyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 135068771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).