1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine

C20H28N2 — CID 43829802

IUPAC1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine
SMILESCCN(CC)CC(N)(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H28N2/c1-4-22(5-2)16-20(21,19-9-7-6-8-10-19)15-18-13-11-17(3)12-14-18/h6-14H,4-5,15-16,21H2,1-3H3
InChIKeyOKZJBVLRDXNJPP-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.73
Rot. Bonds7

About 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine

1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine (PubChem CID 43829802) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine
PubChem CID43829802
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine
SMILESCCN(CC)CC(N)(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H28N2/c1-4-22(5-2)16-20(21,19-9-7-6-8-10-19)15-18-13-11-17(3)12-14-18/h6-14H,4-5,15-16,21H2,1-3H3
InChIKeyOKZJBVLRDXNJPP-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine (CID 43829802) is 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine is CCN(CC)CC(N)(Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine?
The InChIKey is OKZJBVLRDXNJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-22(5-2)16-20(21,19-9-7-6-8-10-19)15-18-13-11-17(3)12-14-18/h6-14H,4-5,15-16,21H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine?
1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 43829802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).