N',N'-diethyl-1-phenylethane-1,2-diamine

C12H20N2 — CID 4961986

IUPACN',N'-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)10-12(13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKeyXEIFQVOOARCSSS-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.03
Rot. Bonds5

About N',N'-diethyl-1-phenylethane-1,2-diamine

N',N'-diethyl-1-phenylethane-1,2-diamine (PubChem CID 4961986) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N',N'-diethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-phenylethane-1,2-diamine
PubChem CID4961986
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN',N'-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)CC(N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)10-12(13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
InChIKeyXEIFQVOOARCSSS-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-diethyl-1-phenylethane-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

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-phenylethane-1,2-diamine (CID 4961986) is N',N'-diethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-phenylethane-1,2-diamine is CCN(CC)CC(N)c1ccccc1.
What is the InChIKey of N',N'-diethyl-1-phenylethane-1,2-diamine?
The InChIKey is XEIFQVOOARCSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-14(4-2)10-12(13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3.
What are the key properties of N',N'-diethyl-1-phenylethane-1,2-diamine?
N',N'-diethyl-1-phenylethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 4961986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).