N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine

C8H19ClNOP — CID 89007195

IUPACN-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine
SMILESCCC(C)N(C(C)C)P(Cl)OC
InChIInChI=1S/C8H19ClNOP/c1-6-8(4)10(7(2)3)12(9)11-5/h7-8H,6H2,1-5H3
InChIKeyWQVBXLAMBLZRRQ-UHFFFAOYSA-N
MW211.67 g/mol
LogP3.61
Rot. Bonds5

About N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine

N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine (PubChem CID 89007195) has the molecular formula C8H19ClNOP and a molecular weight of 211.67 g/mol. Its IUPAC name is N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine
PubChem CID89007195
Molecular FormulaC8H19ClNOP
Molecular Weight211.67 g/mol
Exact Mass211.09
IUPAC NameN-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine
SMILESCCC(C)N(C(C)C)P(Cl)OC
InChIInChI=1S/C8H19ClNOP/c1-6-8(4)10(7(2)3)12(9)11-5/h7-8H,6H2,1-5H3
InChIKeyWQVBXLAMBLZRRQ-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine 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

N-[chloro(ethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14867282
5-N-[chloro(propan-2-yloxy)phosphanyl]-2-N-[[di(propan-2-yl)amino]-propan-2-yloxyphosphanyl]-2-N,5-N-di(propan-2-yl)hexane-2,5-diamine
CID 91296452
N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propylpropan-1-amine
CID 23279007
N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 147538116
[butan-2-yl(propan-2-yl)amino] chloro hydrogen phosphite
CID 88635380
N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 91416511
N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14249300
1-methoxy-N-methyl-N-propan-2-ylbutan-2-amine
CID 22975529
2-[2-[butan-2-yl(propan-2-yl)amino]ethyl-(1-hydroxypropan-2-yl)amino]propan-1-ol
CID 22971826
(2-chloro-2-cyanoethyl)peroxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 54084108
CID 169043914
CID 169043914
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293

Frequently Asked Questions

What is the IUPAC name of N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine?
The IUPAC name of N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine (CID 89007195) is N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine is CCC(C)N(C(C)C)P(Cl)OC.
What is the InChIKey of N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine?
The InChIKey is WQVBXLAMBLZRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19ClNOP/c1-6-8(4)10(7(2)3)12(9)11-5/h7-8H,6H2,1-5H3.
What are the key properties of N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine?
N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine has a molecular weight of 211.67 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(methoxy)phosphanyl]-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 89007195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).