1,1-dichloro-2-ditert-butylphosphanylethanamine

C10H22Cl2NP — CID 87289353

IUPAC1,1-dichloro-2-ditert-butylphosphanylethanamine
SMILESCC(C)(C)P(CC(N)(Cl)Cl)C(C)(C)C
InChIInChI=1S/C10H22Cl2NP/c1-8(2,3)14(9(4,5)6)7-10(11,12)13/h7,13H2,1-6H3
InChIKeyZCZXUNSULPBFCT-UHFFFAOYSA-N
MW258.17 g/mol
LogP4.16
Rot. Bonds2

About 1,1-dichloro-2-ditert-butylphosphanylethanamine

1,1-dichloro-2-ditert-butylphosphanylethanamine (PubChem CID 87289353) has the molecular formula C10H22Cl2NP and a molecular weight of 258.17 g/mol. Its IUPAC name is 1,1-dichloro-2-ditert-butylphosphanylethanamine.

Molecular Properties

Compound Name1,1-dichloro-2-ditert-butylphosphanylethanamine
PubChem CID87289353
Molecular FormulaC10H22Cl2NP
Molecular Weight258.17 g/mol
Exact Mass257.09
IUPAC Name1,1-dichloro-2-ditert-butylphosphanylethanamine
SMILESCC(C)(C)P(CC(N)(Cl)Cl)C(C)(C)C
InChIInChI=1S/C10H22Cl2NP/c1-8(2,3)14(9(4,5)6)7-10(11,12)13/h7,13H2,1-6H3
InChIKeyZCZXUNSULPBFCT-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-dichloro-2-ditert-butylphosphanylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-ditert-butylphosphanylethanamine?
The IUPAC name of 1,1-dichloro-2-ditert-butylphosphanylethanamine (CID 87289353) is 1,1-dichloro-2-ditert-butylphosphanylethanamine.
What is the SMILES notation for 1,1-dichloro-2-ditert-butylphosphanylethanamine?
The canonical SMILES for 1,1-dichloro-2-ditert-butylphosphanylethanamine is CC(C)(C)P(CC(N)(Cl)Cl)C(C)(C)C.
What is the InChIKey of 1,1-dichloro-2-ditert-butylphosphanylethanamine?
The InChIKey is ZCZXUNSULPBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Cl2NP/c1-8(2,3)14(9(4,5)6)7-10(11,12)13/h7,13H2,1-6H3.
What are the key properties of 1,1-dichloro-2-ditert-butylphosphanylethanamine?
1,1-dichloro-2-ditert-butylphosphanylethanamine has a molecular weight of 258.17 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-ditert-butylphosphanylethanamine is sourced from PubChem (CID 87289353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).