N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine

C27H29N2O2P — CID 23746527

IUPACN-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine
SMILESCCOP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C27H29N2O2P/c1-4-31-32(30,26-18-16-25(17-19-26)29(2)3)27(22-11-6-5-7-12-22)28-24-15-14-21-10-8-9-13-23(21)20-24/h5-20,27-28H,4H2,1-3H3
InChIKeyAFEOGKIQRCHHIJ-UHFFFAOYSA-N
MW444.52 g/mol
LogP6.66
Rot. Bonds8

About N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine

N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine (PubChem CID 23746527) has the molecular formula C27H29N2O2P and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine
PubChem CID23746527
Molecular FormulaC27H29N2O2P
Molecular Weight444.52 g/mol
Exact Mass444.20
IUPAC NameN-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine
SMILESCCOP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C27H29N2O2P/c1-4-31-32(30,26-18-16-25(17-19-26)29(2)3)27(22-11-6-5-7-12-22)28-24-15-14-21-10-8-9-13-23(21)20-24/h5-20,27-28H,4H2,1-3H3
InChIKeyAFEOGKIQRCHHIJ-UHFFFAOYSA-N
XLogP6.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(R)-anilino-(4-chlorophenyl)methyl]-ethoxyphosphoryl]-N,N-dimethylaniline
CID 41078696
4-[[(R)-anilino(phenyl)methyl]-(2-methylpropoxy)phosphoryl]-N,N-dimethylaniline
CID 11862710
4-[[anilino(phenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 3266264
4-[(R)-anilino-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methyl]-N,N-dimethylaniline
CID 11863272
4-[[(R)-anilino(pyridin-3-yl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
CID 11863002
4-[[anilino-(4-propan-2-ylphenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 3328597
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
CID 2833850
N-[(R)-di(propan-2-yloxy)phosphoryl-phenylmethyl]naphthalen-2-amine
CID 2054260
3-chloro-N-[diethoxyphosphoryl-[4-(dimethylamino)phenyl]methyl]aniline
CID 21210791
4-[[(R)-anilino-(2,5-dimethoxyphenyl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
CID 41081085
N-[[ethoxy-(2,3,4,5,6-pentafluorophenyl)phosphoryl]-phenylmethyl]aniline
CID 5112991
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122

Frequently Asked Questions

What is the IUPAC name of N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine?
The IUPAC name of N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine (CID 23746527) is N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine.
What is the SMILES notation for N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine?
The canonical SMILES for N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine is CCOP(=O)(c1ccc(N(C)C)cc1)C(Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine?
The InChIKey is AFEOGKIQRCHHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N2O2P/c1-4-31-32(30,26-18-16-25(17-19-26)29(2)3)27(22-11-6-5-7-12-22)28-24-15-14-21-10-8-9-13-23(21)20-24/h5-20,27-28H,4H2,1-3H3.
What are the key properties of N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine?
N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine has a molecular weight of 444.52 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-phenylmethyl]naphthalen-2-amine is sourced from PubChem (CID 23746527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).