ethene;3-phenylpropane-1,2-diamine

C11H18N2 — CID 175295695

IUPACethene;3-phenylpropane-1,2-diamine
SMILESC=C.NCC(N)Cc1ccccc1
InChIInChI=1S/C9H14N2.C2H4/c10-7-9(11)6-8-4-2-1-3-5-8;1-2/h1-5,9H,6-7,10-11H2;1-2H2
InChIKeyYLCOHHYJOLSXEQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.32
Rot. Bonds3

About ethene;3-phenylpropane-1,2-diamine

ethene;3-phenylpropane-1,2-diamine (PubChem CID 175295695) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethene;3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Nameethene;3-phenylpropane-1,2-diamine
PubChem CID175295695
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethene;3-phenylpropane-1,2-diamine
SMILESC=C.NCC(N)Cc1ccccc1
InChIInChI=1S/C9H14N2.C2H4/c10-7-9(11)6-8-4-2-1-3-5-8;1-2/h1-5,9H,6-7,10-11H2;1-2H2
InChIKeyYLCOHHYJOLSXEQ-UHFFFAOYSA-N
XLogP1.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;3-phenylpropane-1,2-diamine 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

(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
1,4-diphenylbutan-2-amine
CID 60820174
3-(4-ethylphenyl)propane-1,2-diamine
CID 151041648
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
(2S)-3-naphthalen-2-ylpropane-1,2-diamine
CID 68655255
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
2-methyl-3-phenylpropan-1-amine
CID 12672558
(5S)-6-phenylhex-1-ene-2,5-diamine
CID 146226437
3,4-diamino-1-phenylbutan-2-ol
CID 66646271

Frequently Asked Questions

What is the IUPAC name of ethene;3-phenylpropane-1,2-diamine?
The IUPAC name of ethene;3-phenylpropane-1,2-diamine (CID 175295695) is ethene;3-phenylpropane-1,2-diamine.
What is the SMILES notation for ethene;3-phenylpropane-1,2-diamine?
The canonical SMILES for ethene;3-phenylpropane-1,2-diamine is C=C.NCC(N)Cc1ccccc1.
What is the InChIKey of ethene;3-phenylpropane-1,2-diamine?
The InChIKey is YLCOHHYJOLSXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H4/c10-7-9(11)6-8-4-2-1-3-5-8;1-2/h1-5,9H,6-7,10-11H2;1-2H2.
What are the key properties of ethene;3-phenylpropane-1,2-diamine?
ethene;3-phenylpropane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-phenylpropane-1,2-diamine is sourced from PubChem (CID 175295695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).