N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine

C17H30N2O — CID 54803502

IUPACN-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC(C)Oc1c(C)cccc1C
InChIInChI=1S/C17H30N2O/c1-6-19(7-2)12-11-18-13-16(5)20-17-14(3)9-8-10-15(17)4/h8-10,16,18H,6-7,11-13H2,1-5H3
InChIKeyURGJWVKSFOTLPT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds9

About N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine

N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 54803502) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine
PubChem CID54803502
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC(C)Oc1c(C)cccc1C
InChIInChI=1S/C17H30N2O/c1-6-19(7-2)12-11-18-13-16(5)20-17-14(3)9-8-10-15(17)4/h8-10,16,18H,6-7,11-13H2,1-5H3
InChIKeyURGJWVKSFOTLPT-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
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

2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
CID 54803489
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
N',N'-diethyl-N-[2-(3-methylphenyl)sulfanylethyl]ethane-1,2-diamine
CID 55092148
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine (CID 54803502) is N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCC(C)Oc1c(C)cccc1C.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is URGJWVKSFOTLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-19(7-2)12-11-18-13-16(5)20-17-14(3)9-8-10-15(17)4/h8-10,16,18H,6-7,11-13H2,1-5H3.
What are the key properties of N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)propyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 54803502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).