N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine

C24H30N3P — CID 130232152

IUPACN-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine
SMILESCC(C)N(CN(C)P(c1ccccc1)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N3P/c1-21(2)27(23-16-10-6-11-17-23)20-25(3)28(24-18-12-7-13-19-24)26(4)22-14-8-5-9-15-22/h5-19,21H,20H2,1-4H3
InChIKeyCERGDDZXBAJCFJ-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.56
Rot. Bonds8

About N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine

N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine (PubChem CID 130232152) has the molecular formula C24H30N3P and a molecular weight of 391.50 g/mol. Its IUPAC name is N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine.

Molecular Properties

Compound NameN-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine
PubChem CID130232152
Molecular FormulaC24H30N3P
Molecular Weight391.50 g/mol
Exact Mass391.22
IUPAC NameN-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine
SMILESCC(C)N(CN(C)P(c1ccccc1)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N3P/c1-21(2)27(23-16-10-6-11-17-23)20-25(3)28(24-18-12-7-13-19-24)26(4)22-14-8-5-9-15-22/h5-19,21H,20H2,1-4H3
InChIKeyCERGDDZXBAJCFJ-UHFFFAOYSA-N
XLogP5.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-diphenylphosphanyl-N-[[ethyl(methyl)amino]-phenylphosphanyl]propan-2-amine
CID 121401614
2-(N-propan-2-ylanilino)ethane-1,1,1-triol
CID 54242870
N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 122548842
(N-methylanilino)phosphanium
CID 163691673
N-dimethoxyphosphanyl-N-[(N-dimethoxyphosphanylanilino)-phenylphosphanyl]aniline
CID 102311541
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
N-methyl-N-[phenyl(trimethylsilylmethyl)phosphanyl]aniline
CID 10902704
lithium N-ethynyl-N-methylaniline
CID 12592605
N,N-dimethylaniline;mercury
CID 158660084
N-diphenylphosphanyl-4-ethenyl-N-methylaniline
CID 130416736
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 143778678
1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
CID 15026090

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine?
The IUPAC name of N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine (CID 130232152) is N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine.
What is the SMILES notation for N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine?
The canonical SMILES for N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine is CC(C)N(CN(C)P(c1ccccc1)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine?
The InChIKey is CERGDDZXBAJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N3P/c1-21(2)27(23-16-10-6-11-17-23)20-25(3)28(24-18-12-7-13-19-24)26(4)22-14-8-5-9-15-22/h5-19,21H,20H2,1-4H3.
What are the key properties of N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine?
N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine has a molecular weight of 391.50 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(N-methylanilino)-phenylphosphanyl]-N'-phenyl-N'-propan-2-ylmethanediamine is sourced from PubChem (CID 130232152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).