N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

C11H16Cl2N5O2P — CID 59248863

IUPACN-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SMILES[N-]=[N+]=Nc1ccc(COP(N)(=O)N(CCCl)CCCl)cc1
InChIInChI=1S/C11H16Cl2N5O2P/c12-5-7-18(8-6-13)21(15,19)20-9-10-1-3-11(4-2-10)16-17-14/h1-4H,5-9H2,(H2,15,19)
InChIKeyNDNJFWAMCCMLCJ-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.99
Rot. Bonds9

About N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine

N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine (PubChem CID 59248863) has the molecular formula C11H16Cl2N5O2P and a molecular weight of 352.16 g/mol. Its IUPAC name is N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.

Molecular Properties

Compound NameN-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
PubChem CID59248863
Molecular FormulaC11H16Cl2N5O2P
Molecular Weight352.16 g/mol
Exact Mass351.04
IUPAC NameN-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SMILES[N-]=[N+]=Nc1ccc(COP(N)(=O)N(CCCl)CCCl)cc1
InChIInChI=1S/C11H16Cl2N5O2P/c12-5-7-18(8-6-13)21(15,19)20-9-10-1-3-11(4-2-10)16-17-14/h1-4H,5-9H2,(H2,15,19)
InChIKeyNDNJFWAMCCMLCJ-UHFFFAOYSA-N
XLogP3.99
TPSA104.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[azanyl(phenylmethoxy)(15N)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
CID 10041181
1-azido-4-(chloromethyl)benzene
CID 23347514
(2S)-2-amino-N-[4-[[amino-[bis(2-chloroethyl)amino]phosphoryl]oxymethyl]phenyl]pentanediamide
CID 59248864
2-chloro-N-(2-chloroethyl)-N-[chloro(phenylmethoxy)phosphoryl]ethan(15N)amine
CID 10019617
(4-ethenylphenyl)methyl 4-azidobenzoate
CID 138593704
(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
CID 10662163
[4-(phosphonooxymethyl)phenyl]methyl dihydrogen phosphate
CID 118583982
1-azido-4-[(4-fluorophenyl)methoxy]benzene
CID 150502855
2-[(4-azidophenyl)methoxycarbonylamino]-2-methylpropanoic acid
CID 135300649
2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid
CID 168986605
(2S)-2,6-diamino-7-[(4-azidophenyl)methoxy]-7-oxoheptanoic acid;hydrochloride
CID 145168958
4-[[(4-azidophenyl)methyl-methylamino]methyl]aniline
CID 54073045

Frequently Asked Questions

What is the IUPAC name of N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
The IUPAC name of N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine (CID 59248863) is N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.
What is the SMILES notation for N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
The canonical SMILES for N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine is [N-]=[N+]=Nc1ccc(COP(N)(=O)N(CCCl)CCCl)cc1.
What is the InChIKey of N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
The InChIKey is NDNJFWAMCCMLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N5O2P/c12-5-7-18(8-6-13)21(15,19)20-9-10-1-3-11(4-2-10)16-17-14/h1-4H,5-9H2,(H2,15,19).
What are the key properties of N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine?
N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine has a molecular weight of 352.16 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[(4-azidophenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine is sourced from PubChem (CID 59248863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).