N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

C11H17Cl2N2O2P — CID 10041181

IUPACN-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SMILES[15NH2]P(=O)(OCc1ccccc1)N(CCCl)CCCl
InChIInChI=1S/C11H17Cl2N2O2P/c12-6-8-15(9-7-13)18(14,16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,16)/i14+1
InChIKeyJSZWFLWJWIMZLD-UJKGMGNHSA-N
MW312.14 g/mol
LogP3.05
Rot. Bonds8

About N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine (PubChem CID 10041181) has the molecular formula C11H17Cl2N2O2P and a molecular weight of 312.14 g/mol. Its IUPAC name is N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.

Molecular Properties

Compound NameN-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
PubChem CID10041181
Molecular FormulaC11H17Cl2N2O2P
Molecular Weight312.14 g/mol
Exact Mass311.04
IUPAC NameN-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SMILES[15NH2]P(=O)(OCc1ccccc1)N(CCCl)CCCl
InChIInChI=1S/C11H17Cl2N2O2P/c12-6-8-15(9-7-13)18(14,16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,16)/i14+1
InChIKeyJSZWFLWJWIMZLD-UJKGMGNHSA-N
XLogP3.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-chloroethyl)-N-[chloro(phenylmethoxy)phosphoryl]ethan(15N)amine
CID 10019617
N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
CID 59248863
(2S)-2-amino-N-[4-[[amino-[bis(2-chloroethyl)amino]phosphoryl]oxymethyl]phenyl]pentanediamide
CID 59248864
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
N-benzyl-N-[[benzyl(2-chloroethyl)amino]-methoxyphosphoryl]-2-chloroethanamine
CID 143387245
N-[amino-[(1R)-1-phenylbut-3-enoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
CID 129395056
N-[amino-[(1S)-1-phenylbut-3-enoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
CID 129395055
dibenzyl chloromethyl phosphate;ethane
CID 144742868
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
dibenzyl hydrogen phosphate;silver
CID 85301331
1,1'-biphenyl;bis(2-chloroethyl)aminophosphonic acid
CID 21117531

Frequently Asked Questions

What is the IUPAC name of N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
The IUPAC name of N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine (CID 10041181) is N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.
What is the SMILES notation for N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
The canonical SMILES for N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine is [15NH2]P(=O)(OCc1ccccc1)N(CCCl)CCCl.
What is the InChIKey of N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
The InChIKey is JSZWFLWJWIMZLD-UJKGMGNHSA-N. The full InChI is InChI=1S/C11H17Cl2N2O2P/c12-6-8-15(9-7-13)18(14,16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,16)/i14+1.
What are the key properties of N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine has a molecular weight of 312.14 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine is sourced from PubChem (CID 10041181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).