N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine

C15H26N2 — CID 55074782

IUPACN,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CNCC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-12-17(6-3)15(13-16-5-2)14-10-8-7-9-11-14/h7-11,15-16H,4-6,12-13H2,1-3H3
InChIKeyXZHBIYGNIGUUHR-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.07
Rot. Bonds8

About N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine

N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine (PubChem CID 55074782) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
PubChem CID55074782
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CNCC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-12-17(6-3)15(13-16-5-2)14-10-8-7-9-11-14/h7-11,15-16H,4-6,12-13H2,1-3H3
InChIKeyXZHBIYGNIGUUHR-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62427202
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
N'-ethyl-N-methyl-1-phenyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65488464
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987
N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
CID 103340348
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine (CID 55074782) is N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine is CCCN(CC)C(CNCC)c1ccccc1.
What is the InChIKey of N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine?
The InChIKey is XZHBIYGNIGUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-12-17(6-3)15(13-16-5-2)14-10-8-7-9-11-14/h7-11,15-16H,4-6,12-13H2,1-3H3.
What are the key properties of N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine?
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 55074782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).