2-phenylethane-1,1-diamine;dihydrochloride

C8H14Cl2N2 — CID 90190453

IUPAC2-phenylethane-1,1-diamine;dihydrochloride
SMILESCl.Cl.NC(N)Cc1ccccc1
InChIInChI=1S/C8H12N2.2ClH/c9-8(10)6-7-4-2-1-3-5-7;;/h1-5,8H,6,9-10H2;2*1H
InChIKeyNXDOGGHVOFGMGP-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.32
Rot. Bonds2

About 2-phenylethane-1,1-diamine;dihydrochloride

2-phenylethane-1,1-diamine;dihydrochloride (PubChem CID 90190453) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is 2-phenylethane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Name2-phenylethane-1,1-diamine;dihydrochloride
PubChem CID90190453
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC Name2-phenylethane-1,1-diamine;dihydrochloride
SMILESCl.Cl.NC(N)Cc1ccccc1
InChIInChI=1S/C8H12N2.2ClH/c9-8(10)6-7-4-2-1-3-5-7;;/h1-5,8H,6,9-10H2;2*1H
InChIKeyNXDOGGHVOFGMGP-UHFFFAOYSA-N
XLogP1.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-phenylethane-1,1-diamine;dihydrochloride 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

(1R)-1-bromo-2-phenylethanamine
CID 164702405
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
1,4-diphenylbutan-2-amine
CID 60820174
ethene;3-phenylpropane-1,2-diamine
CID 175295695
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961

Frequently Asked Questions

What is the IUPAC name of 2-phenylethane-1,1-diamine;dihydrochloride?
The IUPAC name of 2-phenylethane-1,1-diamine;dihydrochloride (CID 90190453) is 2-phenylethane-1,1-diamine;dihydrochloride.
What is the SMILES notation for 2-phenylethane-1,1-diamine;dihydrochloride?
The canonical SMILES for 2-phenylethane-1,1-diamine;dihydrochloride is Cl.Cl.NC(N)Cc1ccccc1.
What is the InChIKey of 2-phenylethane-1,1-diamine;dihydrochloride?
The InChIKey is NXDOGGHVOFGMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2ClH/c9-8(10)6-7-4-2-1-3-5-7;;/h1-5,8H,6,9-10H2;2*1H.
What are the key properties of 2-phenylethane-1,1-diamine;dihydrochloride?
2-phenylethane-1,1-diamine;dihydrochloride has a molecular weight of 209.12 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethane-1,1-diamine;dihydrochloride is sourced from PubChem (CID 90190453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).