N-[chloro(ethylamino)phosphoryl]ethanamine

C4H12ClN2OP — CID 23416057

IUPACN-[chloro(ethylamino)phosphoryl]ethanamine
SMILESCCNP(=O)(Cl)NCC
InChIInChI=1S/C4H12ClN2OP/c1-3-6-9(5,8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyYBGRAZWOIKKZKB-UHFFFAOYSA-N
MW170.58 g/mol
LogP1.55
Rot. Bonds4

About N-[chloro(ethylamino)phosphoryl]ethanamine

N-[chloro(ethylamino)phosphoryl]ethanamine (PubChem CID 23416057) has the molecular formula C4H12ClN2OP and a molecular weight of 170.58 g/mol. Its IUPAC name is N-[chloro(ethylamino)phosphoryl]ethanamine.

Molecular Properties

Compound NameN-[chloro(ethylamino)phosphoryl]ethanamine
PubChem CID23416057
Molecular FormulaC4H12ClN2OP
Molecular Weight170.58 g/mol
Exact Mass170.04
IUPAC NameN-[chloro(ethylamino)phosphoryl]ethanamine
SMILESCCNP(=O)(Cl)NCC
InChIInChI=1S/C4H12ClN2OP/c1-3-6-9(5,8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyYBGRAZWOIKKZKB-UHFFFAOYSA-N
XLogP1.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.58
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dichlorophosphinothioylethanamine
CID 14249236
2-bromo-N-[(2-bromoethylamino)-chlorophosphoryl]ethanamine
CID 135133688
tris(ethylamino) phosphate
CID 54538553
bis(N-methylmethanamine);phosphoryl trichloride
CID 87999351
amino(ethylamino)phosphinic acid;hexane
CID 87856928
N-dimethylphosphinothioylethanamine
CID 586242
N-[butyl(ethylamino)phosphoryl]propan-1-amine
CID 123972453
N-[chloro-(propan-2-ylamino)phosphoryl]propan-2-amine
CID 23416058
N-[ethoxy(ethylsulfanyloxy)phosphoryl]ethanamine
CID 173285572
butane;lanthanum(3+);phosphate
CID 118953489
2-[ethoxy(ethylamino)phosphoryl]acetonitrile
CID 163668716
bis(propylamino)phosphinic acid
CID 59603177

Frequently Asked Questions

What is the IUPAC name of N-[chloro(ethylamino)phosphoryl]ethanamine?
The IUPAC name of N-[chloro(ethylamino)phosphoryl]ethanamine (CID 23416057) is N-[chloro(ethylamino)phosphoryl]ethanamine.
What is the SMILES notation for N-[chloro(ethylamino)phosphoryl]ethanamine?
The canonical SMILES for N-[chloro(ethylamino)phosphoryl]ethanamine is CCNP(=O)(Cl)NCC.
What is the InChIKey of N-[chloro(ethylamino)phosphoryl]ethanamine?
The InChIKey is YBGRAZWOIKKZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12ClN2OP/c1-3-6-9(5,8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of N-[chloro(ethylamino)phosphoryl]ethanamine?
N-[chloro(ethylamino)phosphoryl]ethanamine has a molecular weight of 170.58 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(ethylamino)phosphoryl]ethanamine is sourced from PubChem (CID 23416057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).