N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine

C15H26N2O — CID 62572472

IUPACN',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)c1ccccc1OCCNCCN(C)C
InChIInChI=1S/C15H26N2O/c1-13(2)14-7-5-6-8-15(14)18-12-10-16-9-11-17(3)4/h5-8,13,16H,9-12H2,1-4H3
InChIKeyAENWMNZQVIKOPF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.34
Rot. Bonds8

About N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine (PubChem CID 62572472) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
PubChem CID62572472
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
SMILESCC(C)c1ccccc1OCCNCCN(C)C
InChIInChI=1S/C15H26N2O/c1-13(2)14-7-5-6-8-15(14)18-12-10-16-9-11-17(3)4/h5-8,13,16H,9-12H2,1-4H3
InChIKeyAENWMNZQVIKOPF-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.34
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

1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine
CID 39431642
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 69276301
N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine
CID 55244631
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 102987235
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine (CID 62572472) is N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine is CC(C)c1ccccc1OCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is AENWMNZQVIKOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)14-7-5-6-8-15(14)18-12-10-16-9-11-17(3)4/h5-8,13,16H,9-12H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62572472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).