N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine

C18H32N2O — CID 54803489

IUPACN',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-20(7-2)13-12-19-14-16(5)21-18-10-8-17(9-11-18)15(3)4/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeyCRQXCWCJMPQMDR-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.51
Rot. Bonds10

About N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine (PubChem CID 54803489) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
PubChem CID54803489
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-20(7-2)13-12-19-14-16(5)21-18-10-8-17(9-11-18)15(3)4/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeyCRQXCWCJMPQMDR-UHFFFAOYSA-N
XLogP3.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine
CID 54803502
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 62453124
3-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 114996289
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
4-[4-(diethylamino)butan-2-yloxy]aniline
CID 82037005
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17229797
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine
CID 54803306
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine (CID 54803489) is N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine is CCN(CC)CCNCC(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine?
The InChIKey is CRQXCWCJMPQMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-20(7-2)13-12-19-14-16(5)21-18-10-8-17(9-11-18)15(3)4/h8-11,15-16,19H,6-7,12-14H2,1-5H3.
What are the key properties of N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 54803489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).