N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine

C16H21N2O2P — CID 13438203

IUPACN-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
SMILESCCOP(=O)(NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H21N2O2P/c1-2-20-21(19,17-13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,17,18,19)
InChIKeyNFFSUTLFGVEMTB-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.71
Rot. Bonds8

About N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine

N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine (PubChem CID 13438203) has the molecular formula C16H21N2O2P and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
PubChem CID13438203
Molecular FormulaC16H21N2O2P
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine
SMILESCCOP(=O)(NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H21N2O2P/c1-2-20-21(19,17-13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,17,18,19)
InChIKeyNFFSUTLFGVEMTB-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dimethoxyphosphoryl-1-phenylmethanamine
CID 10954934
N-dimethylphosphoryl-1-phenylmethanamine
CID 163638802
N-[ethoxy(phenyl)phosphinothioyl]-1-phenylmethanamine
CID 102380213
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
N-benzyl-1-diethoxyphosphorylpropan-1-amine
CID 71361859
N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
CID 10848734
N-[2-(disulfanyl)ethoxy-methylphosphoryl]-1-phenylmethanamine
CID 145193037
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
CID 10968155
benzyl ethyl methyl phosphate
CID 152677778
N-benzyl-2-[[[2-(benzylamino)phenyl]methyl-ethoxyphosphoryl]methyl]aniline
CID 19050123
2-diethoxyphosphorylethylbenzene
CID 3448525
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157

Frequently Asked Questions

What is the IUPAC name of N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine?
The IUPAC name of N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine (CID 13438203) is N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine.
What is the SMILES notation for N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine?
The canonical SMILES for N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine is CCOP(=O)(NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine?
The InChIKey is NFFSUTLFGVEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O2P/c1-2-20-21(19,17-13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,17,18,19).
What are the key properties of N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine?
N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine has a molecular weight of 304.33 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(benzylamino)-ethoxyphosphoryl]-1-phenylmethanamine is sourced from PubChem (CID 13438203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).