N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine

C12H21ClN3P — CID 23417464

IUPACN-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(=Nc1ccccc1)N(C)C
InChIInChI=1S/C12H21ClN3P/c1-5-16(6-2)17(13,15(3)4)14-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyQEWOMGMWNGLYMD-UHFFFAOYSA-N
MW273.75 g/mol
LogP4.41
Rot. Bonds5

About N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine

N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine (PubChem CID 23417464) has the molecular formula C12H21ClN3P and a molecular weight of 273.75 g/mol. Its IUPAC name is N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
PubChem CID23417464
Molecular FormulaC12H21ClN3P
Molecular Weight273.75 g/mol
Exact Mass273.12
IUPAC NameN-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(=Nc1ccccc1)N(C)C
InChIInChI=1S/C12H21ClN3P/c1-5-16(6-2)17(13,15(3)4)14-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyQEWOMGMWNGLYMD-UHFFFAOYSA-N
XLogP4.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine (CID 23417464) is N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine is CCN(CC)P(Cl)(=Nc1ccccc1)N(C)C.
What is the InChIKey of N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
The InChIKey is QEWOMGMWNGLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN3P/c1-5-16(6-2)17(13,15(3)4)14-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3.
What are the key properties of N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine?
N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine has a molecular weight of 273.75 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(dimethylamino)-phenylimino-λ5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 23417464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).